 Entering Gaussian System, Link 0=g16
 Input=11_L-cysteine_conformer07_STD_B3LYPDBJ_augccpVDZ.in
 Output=11_L-cysteine_conformer07_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-79688.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     79708.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=11_L-cysteine_conformer07_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:35:17 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "11_L-cysteine_conformer07_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.841982000000     -0.630213000000      0.360459000000
  S                                                 2.547171000000     -0.192191000000     -0.109995000000
  C                                                -0.225879000000      0.229919000000     -0.309856000000
  N                                                -0.226558000000      1.646777000000      0.057723000000
  C                                                -1.625290000000     -0.371631000000     -0.067003000000
  O                                                -1.831566000000     -1.553063000000     -0.022962000000
  O                                                -2.593125000000      0.543639000000      0.052246000000
  H                                                -0.077154000000      0.178374000000     -1.391781000000
  H                                                 0.739207000000     -0.597147000000      1.446150000000
  H                                                 0.710059000000     -1.667028000000      0.057631000000
  H                                                -2.140525000000      1.414460000000      0.004453000000
  H                                                 0.443329000000      2.173429000000     -0.486604000000
  H                                                -0.005119000000      1.777267000000      1.039014000000
  H                                                 2.614024000000      0.975209000000      0.551137000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          32          12          14          12          16          16           1           1           1
 AtmWgt=  12.0000000  31.9720718  12.0000000  14.0030740  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           2           0           0           0           1           1           1
 AtZEff=   3.6000000  13.6000000   3.6000000   4.5500000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000  16.0000000   6.0000000   7.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 19:35:17 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.841982   -0.630213    0.360459
      2         16           0        2.547171   -0.192191   -0.109995
      3          6           0       -0.225879    0.229919   -0.309856
      4          7           0       -0.226558    1.646777    0.057723
      5          6           0       -1.625290   -0.371631   -0.067003
      6          8           0       -1.831566   -1.553063   -0.022962
      7          8           0       -2.593125    0.543639    0.052246
      8          1           0       -0.077154    0.178374   -1.391781
      9          1           0        0.739207   -0.597147    1.446150
     10          1           0        0.710059   -1.667028    0.057631
     11          1           0       -2.140525    1.414460    0.004453
     12          1           0        0.443329    2.173429   -0.486604
     13          1           0       -0.005119    1.777267    1.039014
     14          1           0        2.614024    0.975209    0.551137
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  S    1.822323   0.000000
     3  C    1.526262   2.812104   0.000000
     4  N    2.533399   3.332192   1.463763   0.000000
     5  C    2.517344   4.176539   1.542463   2.458857   0.000000
     6  O    2.854211   4.586162   2.416519   3.580717   1.200113
     7  O    3.643197   5.195230   2.415242   2.611050   1.337402
     8  H    2.137515   2.944041   1.093315   2.068717   2.110514
     9  H    1.091046   2.419568   2.167715   2.809916   2.816263
    10  H    1.088161   2.361826   2.146959   3.443625   2.673470
    11  H    3.633562   4.956705   2.273279   1.928751   1.860294
    12  H    2.955816   3.188125   2.063083   1.011139   3.306445
    13  H    2.640829   3.422451   2.064575   1.014394   2.909637
    14  H    2.398723   1.343275   3.059708   2.960298   4.490864
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.231992   0.000000
     8  H    2.819486   2.923823   0.000000
     9  H    3.111421   3.787981   3.053151   0.000000
    10  H    2.545455   3.974683   2.475077   1.753134   0.000000
    11  H    2.983689   0.982578   2.781165   3.797092   4.198122
    12  H    4.390541   3.488069   2.251775   3.391043   3.887987
    13  H    3.943957   3.032050   2.910397   2.521433   3.652090
    14  H    5.146360   5.248766   3.413549   2.605435   3.293941
                   11         12         13         14
    11  H    0.000000
    12  H    2.737421   0.000000
    13  H    2.400397   1.638768   0.000000
    14  H    4.805990   2.687853   2.782307   0.000000
 Stoichiometry    C3H7NO2S
 Framework group  C1[X(C3H7NO2S)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.841982   -0.630213    0.360459
      2         16           0        2.547171   -0.192191   -0.109995
      3          6           0       -0.225879    0.229919   -0.309856
      4          7           0       -0.226558    1.646777    0.057723
      5          6           0       -1.625290   -0.371631   -0.067003
      6          8           0       -1.831566   -1.553063   -0.022962
      7          8           0       -2.593125    0.543638    0.052246
      8          1           0       -0.077154    0.178374   -1.391781
      9          1           0        0.739207   -0.597147    1.446150
     10          1           0        0.710059   -1.667028    0.057631
     11          1           0       -2.140525    1.414460    0.004453
     12          1           0        0.443329    2.173429   -0.486604
     13          1           0       -0.005119    1.777267    1.039014
     14          1           0        2.614024    0.975209    0.551137
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.4961684           1.1702730           0.9600507
 Leave Link  202 at Thu Aug 12 19:35:17 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  2.4763500000D-04
     Exponent=  1.6610000000D+04 Coefficients=  1.9202600000D-03
     Exponent=  3.7810000000D+03 Coefficients=  9.9619200000D-03
     Exponent=  1.0710000000D+03 Coefficients=  4.0297500000D-02
     Exponent=  3.4980000000D+02 Coefficients=  1.2860400000D-01
     Exponent=  1.2630000000D+02 Coefficients=  3.0348000000D-01
     Exponent=  4.9260000000D+01 Coefficients=  4.2143200000D-01
     Exponent=  2.0160000000D+01 Coefficients=  2.3078100000D-01
     Exponent=  5.7200000000D+00 Coefficients=  1.7897100000D-02
     Exponent=  2.1820000000D+00 Coefficients= -2.9751600000D-03
     Exponent=  4.3270000000D-01 Coefficients=  8.4952200000D-04
     Exponent=  1.5700000000D-01 Coefficients= -3.6793600000D-04
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients= -6.8703900000D-05
     Exponent=  1.6610000000D+04 Coefficients= -5.2768100000D-04
     Exponent=  3.7810000000D+03 Coefficients= -2.7967100000D-03
     Exponent=  1.0710000000D+03 Coefficients= -1.1265100000D-02
     Exponent=  3.4980000000D+02 Coefficients= -3.8883400000D-02
     Exponent=  1.2630000000D+02 Coefficients= -9.9502500000D-02
     Exponent=  4.9260000000D+01 Coefficients= -1.9974000000D-01
     Exponent=  2.0160000000D+01 Coefficients= -1.2336000000D-01
     Exponent=  5.7200000000D+00 Coefficients=  5.1319400000D-01
     Exponent=  2.1820000000D+00 Coefficients=  6.0712000000D-01
     Exponent=  4.3270000000D-01 Coefficients=  3.9675300000D-02
     Exponent=  1.5700000000D-01 Coefficients= -9.4686400000D-03
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  1.9907700000D-05
     Exponent=  1.6610000000D+04 Coefficients=  1.5348300000D-04
     Exponent=  3.7810000000D+03 Coefficients=  8.0950300000D-04
     Exponent=  1.0710000000D+03 Coefficients=  3.2897400000D-03
     Exponent=  3.4980000000D+02 Coefficients=  1.1296700000D-02
     Exponent=  1.2630000000D+02 Coefficients=  2.9638500000D-02
     Exponent=  4.9260000000D+01 Coefficients=  5.9985100000D-02
     Exponent=  2.0160000000D+01 Coefficients=  4.1324800000D-02
     Exponent=  5.7200000000D+00 Coefficients= -2.0747400000D-01
     Exponent=  2.1820000000D+00 Coefficients= -3.9288900000D-01
     Exponent=  4.3270000000D-01 Coefficients=  6.3284000000D-01
     Exponent=  1.5700000000D-01 Coefficients=  5.5692400000D-01
 S 1 1.00
     Exponent=  1.5700000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0700000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients=  4.4754100000D-03
     Exponent=  9.4190000000D+01 Coefficients=  3.4170800000D-02
     Exponent=  2.9750000000D+01 Coefficients=  1.4425000000D-01
     Exponent=  1.0770000000D+01 Coefficients=  3.5392800000D-01
     Exponent=  4.1190000000D+00 Coefficients=  4.5908500000D-01
     Exponent=  1.6250000000D+00 Coefficients=  2.0638300000D-01
     Exponent=  4.7260000000D-01 Coefficients=  1.0214100000D-02
     Exponent=  1.4070000000D-01 Coefficients= -6.0312200000D-05
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients= -1.1625100000D-03
     Exponent=  9.4190000000D+01 Coefficients= -8.6566400000D-03
     Exponent=  2.9750000000D+01 Coefficients= -3.9088600000D-02
     Exponent=  1.0770000000D+01 Coefficients= -9.3462500000D-02
     Exponent=  4.1190000000D+00 Coefficients= -1.4799400000D-01
     Exponent=  1.6250000000D+00 Coefficients=  3.0190400000D-02
     Exponent=  4.7260000000D-01 Coefficients=  5.6157300000D-01
     Exponent=  1.4070000000D-01 Coefficients=  5.3477600000D-01
 P 1 1.00
     Exponent=  1.4070000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9900000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.7900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 282 were deleted.
 There are   242 symmetry adapted cartesian basis functions of A   symmetry.
 There are   228 symmetry adapted basis functions of A   symmetry.
   228 basis functions,   447 primitive gaussians,   242 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       374.2750386855 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0224743703 Hartrees.
 Nuclear repulsion after empirical dispersion term =      374.2525643152 Hartrees.
 Leave Link  301 at Thu Aug 12 19:35:19 2021, MaxMem=  5368709120 cpu:              11.3 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   228 RedAO= T EigKep=  1.66D-05  NBF=   228
 NBsUse=   228 1.00D-06 EigRej= -1.00D+00 NBFU=   228
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   242   242   242   242   242 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 19:35:19 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:35:19 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "11_L-cysteine_conformer07_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:35:19 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368587670 LenY=  5368528665
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -722.025246563045    
 DIIS: error= 6.25D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -722.025246563045     IErMin= 1 ErrMin= 6.25D-03
 ErrMax= 6.25D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.30D-03 BMatP= 6.30D-03
 IDIUse=3 WtCom= 9.37D-01 WtEn= 6.25D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.235 Goal=   None    Shift=    0.000
 GapD=    0.235 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.25D-03 MaxDP=2.10D-01              OVMax= 2.34D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.24D-03    CP:  1.02D+00
 E= -722.030436941497     Delta-E=       -0.005190378452 Rises=F Damp=F
 DIIS: error= 4.57D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -722.030436941497     IErMin= 2 ErrMin= 4.57D-04
 ErrMax= 4.57D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-04 BMatP= 6.30D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.57D-03
 Coeff-Com:  0.164D-01 0.984D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.163D-01 0.984D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=3.67D-04 MaxDP=1.83D-02 DE=-5.19D-03 OVMax= 5.43D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.90D-04    CP:  1.02D+00  1.03D+00
 E= -722.030321109859     Delta-E=        0.000115831638 Rises=F Damp=F
 DIIS: error= 6.86D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -722.030436941497     IErMin= 2 ErrMin= 4.57D-04
 ErrMax= 6.86D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.11D-04 BMatP= 1.33D-04
 IDIUse=3 WtCom= 2.76D-01 WtEn= 7.24D-01
 Coeff-Com: -0.758D-02 0.613D+00 0.395D+00
 Coeff-En:   0.000D+00 0.658D+00 0.342D+00
 Coeff:     -0.209D-02 0.645D+00 0.357D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.04D-04 MaxDP=6.72D-03 DE= 1.16D-04 OVMax= 3.52D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.33D-05    CP:  1.02D+00  1.03D+00  8.07D-01
 E= -722.030546357908     Delta-E=       -0.000225248048 Rises=F Damp=F
 DIIS: error= 6.44D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -722.030546357908     IErMin= 4 ErrMin= 6.44D-05
 ErrMax= 6.44D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.63D-06 BMatP= 1.33D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.454D-02 0.232D+00 0.134D+00 0.638D+00
 Coeff:     -0.454D-02 0.232D+00 0.134D+00 0.638D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=2.33D-05 MaxDP=1.26D-03 DE=-2.25D-04 OVMax= 9.71D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.11D-05    CP:  1.02D+00  1.04D+00  8.32D-01  1.05D+00
 E= -722.030548105520     Delta-E=       -0.000001747613 Rises=F Damp=F
 DIIS: error= 5.15D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -722.030548105520     IErMin= 5 ErrMin= 5.15D-05
 ErrMax= 5.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-06 BMatP= 3.63D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.190D-02 0.548D-01 0.266D-01 0.434D+00 0.487D+00
 Coeff:     -0.190D-02 0.548D-01 0.266D-01 0.434D+00 0.487D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=9.83D-06 MaxDP=6.59D-04 DE=-1.75D-06 OVMax= 5.81D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.71D-06    CP:  1.02D+00  1.04D+00  8.39D-01  1.08D+00  7.70D-01
 E= -722.030549706053     Delta-E=       -0.000001600532 Rises=F Damp=F
 DIIS: error= 1.12D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -722.030549706053     IErMin= 6 ErrMin= 1.12D-05
 ErrMax= 1.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-07 BMatP= 2.15D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.521D-03 0.516D-02 0.995D-03 0.167D+00 0.261D+00 0.566D+00
 Coeff:     -0.521D-03 0.516D-02 0.995D-03 0.167D+00 0.261D+00 0.566D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=3.06D-06 MaxDP=1.15D-04 DE=-1.60D-06 OVMax= 1.07D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.40D-06    CP:  1.02D+00  1.04D+00  8.42D-01  1.09D+00  7.50D-01
                    CP:  8.05D-01
 E= -722.030549804064     Delta-E=       -0.000000098011 Rises=F Damp=F
 DIIS: error= 3.10D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -722.030549804064     IErMin= 7 ErrMin= 3.10D-06
 ErrMax= 3.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.31D-09 BMatP= 1.14D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.108D-03-0.149D-02-0.104D-02 0.489D-01 0.927D-01 0.284D+00
 Coeff-Com:  0.577D+00
 Coeff:     -0.108D-03-0.149D-02-0.104D-02 0.489D-01 0.927D-01 0.284D+00
 Coeff:      0.577D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.01D-06 MaxDP=3.75D-05 DE=-9.80D-08 OVMax= 2.34D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.06D-07    CP:  1.02D+00  1.04D+00  8.43D-01  1.09D+00  7.64D-01
                    CP:  8.27D-01  8.14D-01
 E= -722.030549812054     Delta-E=       -0.000000007990 Rises=F Damp=F
 DIIS: error= 9.37D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -722.030549812054     IErMin= 8 ErrMin= 9.37D-07
 ErrMax= 9.37D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.57D-10 BMatP= 8.31D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.186D-05-0.125D-02-0.550D-03 0.428D-02 0.148D-01 0.708D-01
 Coeff-Com:  0.253D+00 0.659D+00
 Coeff:      0.186D-05-0.125D-02-0.550D-03 0.428D-02 0.148D-01 0.708D-01
 Coeff:      0.253D+00 0.659D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=2.95D-07 MaxDP=1.09D-05 DE=-7.99D-09 OVMax= 7.56D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.93D-07    CP:  1.02D+00  1.04D+00  8.43D-01  1.09D+00  7.67D-01
                    CP:  8.39D-01  8.44D-01  7.88D-01
 E= -722.030549812600     Delta-E=       -0.000000000546 Rises=F Damp=F
 DIIS: error= 2.76D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -722.030549812600     IErMin= 9 ErrMin= 2.76D-07
 ErrMax= 2.76D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.97D-11 BMatP= 5.57D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.840D-05-0.476D-03-0.196D-03-0.124D-02 0.517D-03 0.138D-01
 Coeff-Com:  0.763D-01 0.308D+00 0.603D+00
 Coeff:      0.840D-05-0.476D-03-0.196D-03-0.124D-02 0.517D-03 0.138D-01
 Coeff:      0.763D-01 0.308D+00 0.603D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=7.86D-08 MaxDP=2.92D-06 DE=-5.46D-10 OVMax= 2.53D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.21D-08    CP:  1.02D+00  1.04D+00  8.43D-01  1.09D+00  7.67D-01
                    CP:  8.40D-01  8.53D-01  8.20D-01  8.40D-01
 E= -722.030549812650     Delta-E=       -0.000000000050 Rises=F Damp=F
 DIIS: error= 8.82D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -722.030549812650     IErMin=10 ErrMin= 8.82D-08
 ErrMax= 8.82D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.82D-12 BMatP= 4.97D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.328D-05-0.112D-03-0.469D-04-0.809D-03-0.855D-03 0.127D-02
 Coeff-Com:  0.168D-01 0.898D-01 0.265D+00 0.629D+00
 Coeff:      0.328D-05-0.112D-03-0.469D-04-0.809D-03-0.855D-03 0.127D-02
 Coeff:      0.168D-01 0.898D-01 0.265D+00 0.629D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.67D-08 MaxDP=7.20D-07 DE=-4.98D-11 OVMax= 4.40D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.43D-08    CP:  1.02D+00  1.04D+00  8.43D-01  1.09D+00  7.67D-01
                    CP:  8.41D-01  8.54D-01  8.21D-01  8.59D-01  8.93D-01
 E= -722.030549812656     Delta-E=       -0.000000000007 Rises=F Damp=F
 DIIS: error= 1.62D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -722.030549812656     IErMin=11 ErrMin= 1.62D-08
 ErrMax= 1.62D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-13 BMatP= 2.82D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.699D-06-0.113D-04-0.579D-05-0.238D-03-0.417D-03-0.585D-03
 Coeff-Com:  0.131D-02 0.130D-01 0.651D-01 0.256D+00 0.666D+00
 Coeff:      0.699D-06-0.113D-04-0.579D-05-0.238D-03-0.417D-03-0.585D-03
 Coeff:      0.131D-02 0.130D-01 0.651D-01 0.256D+00 0.666D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=4.59D-09 MaxDP=2.12D-07 DE=-6.59D-12 OVMax= 1.07D-07

 SCF Done:  E(RB3LYP) =  -722.030549813     A.U. after   11 cycles
            NFock= 11  Conv=0.46D-08     -V/T= 2.0040
 KE= 7.191501383501D+02 PE=-2.452461996064D+03 EE= 6.370287435855D+02
 Leave Link  502 at Thu Aug 12 19:35:54 2021, MaxMem=  5368709120 cpu:             276.3 elap:              34.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   228
 NBasis=   228 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    228 NOA=    32 NOB=    32 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.48738525D+02

 Leave Link  801 at Thu Aug 12 19:35:54 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4320 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.05D-13 8.33D-09 XBig12= 1.00D+00 2.77D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.05D-13 8.33D-09 XBig12= 3.34D-01 1.04D-01.
     11 vectors produced by pass  2 Test12= 1.05D-13 8.33D-09 XBig12= 5.21D-02 3.82D-02.
     11 vectors produced by pass  3 Test12= 1.05D-13 8.33D-09 XBig12= 3.74D-03 1.69D-02.
     11 vectors produced by pass  4 Test12= 1.05D-13 8.33D-09 XBig12= 1.25D-04 2.29D-03.
     11 vectors produced by pass  5 Test12= 1.05D-13 8.33D-09 XBig12= 3.44D-06 2.91D-04.
     11 vectors produced by pass  6 Test12= 1.05D-13 8.33D-09 XBig12= 3.77D-08 2.42D-05.
     11 vectors produced by pass  7 Test12= 1.05D-13 8.33D-09 XBig12= 2.84D-10 2.77D-06.
      9 vectors produced by pass  8 Test12= 1.05D-13 8.33D-09 XBig12= 1.98D-12 2.24D-07.
      3 vectors produced by pass  9 Test12= 1.05D-13 8.33D-09 XBig12= 1.09D-14 1.27D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   100 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.947350D+02
      2  0.421023D+00  0.791355D+02
      3 -0.588661D+00 -0.862249D+00  0.616879D+02
 Isotropic polarizability for W=    0.088559       78.52 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.895267D+02 -0.692827D+01 -0.357602D+00
      2  -0.542295D+02  0.918656D+01  0.138346D+01
      3  -0.352972D+02 -0.225829D+01 -0.102586D+01
      4   0.652257D+01  0.129793D+02 -0.214161D+01
      5   0.472261D+01 -0.430730D+01  0.634658D+02
      6   0.135285D+01  0.552812D+01  0.121725D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.292495D+01 -0.331143D+01 -0.297189D+01
      2   0.332682D+01 -0.158536D+01  0.342066D+02
      3   0.199931D-01 -0.141388D+02  0.433223D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.216570D+01  0.414466D+01 -0.144308D+02
      2  -0.508021D+01 -0.349446D+01  0.987630D+02
      3   0.134508D+02 -0.672088D+02  0.566015D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.832012D+00 -0.120793D+00  0.615476D+00
      2  -0.120793D+00 -0.169973D+00 -0.107266D+01
      3   0.615476D+00 -0.107266D+01 -0.840117D+00
 OR G Eigenvalues:    -1.7025     0.2856     1.2389  Iso=     0.0594
 Eigenvectors:
   (1)  -0.171047   0.555882   0.813473
   (2)   0.580102   0.724180  -0.372888
   (3)   0.796382  -0.408116   0.446337
 w=    0.088559 a.u., Optical Rotation Beta=      0.0594 au.
 Molar Mass =    121.1538 grams/mole, [Alpha] ( 5145.0 A) =       24.84 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   26106 ScalPx= 7.86D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.97D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.74D-14 2.78D-09 XBig12= 1.00D+00 3.90D-01.
     30 vectors produced by pass  1 Test12= 1.74D-14 2.78D-09 XBig12= 2.25D-02 4.69D-02.
     30 vectors produced by pass  2 Test12= 1.74D-14 2.78D-09 XBig12= 3.10D-04 2.36D-03.
     30 vectors produced by pass  3 Test12= 1.74D-14 2.78D-09 XBig12= 2.88D-06 2.26D-04.
     30 vectors produced by pass  4 Test12= 1.74D-14 2.78D-09 XBig12= 1.84D-08 1.79D-05.
     30 vectors produced by pass  5 Test12= 1.74D-14 2.78D-09 XBig12= 4.01D-11 6.27D-07.
     27 vectors produced by pass  6 Test12= 1.74D-14 2.78D-09 XBig12= 6.08D-14 2.43D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   207 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 4.31D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 4.31D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.90D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.947350D+02  0.421023D+00 -0.588661D+00
      2   0.421023D+00  0.791355D+02 -0.862249D+00
      3  -0.588661D+00 -0.862249D+00  0.616879D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.292495D+01 -0.331143D+01 -0.297189D+01
      2   0.332682D+01 -0.158536D+01  0.342066D+02
      3   0.199931D-01 -0.141388D+02  0.433223D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.895267D+02 -0.692827D+01 -0.357602D+00
      2  -0.542295D+02  0.918656D+01  0.138346D+01
      3  -0.352972D+02 -0.225829D+01 -0.102586D+01
      4   0.652257D+01  0.129793D+02 -0.214161D+01
      5   0.472261D+01 -0.430730D+01  0.634658D+02
      6   0.135285D+01  0.552812D+01  0.121725D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.784453D+01 -0.222033D+01  0.129131D+01 -0.371204D+01  0.904953D+00
      2  -0.222033D+01  0.478382D+00  0.584420D+00  0.904953D+00  0.345224D+01
      3   0.129131D+01  0.584420D+00 -0.759254D+00 -0.935683D-01  0.123685D+01
                 6             7             8             9            10 
      1  -0.935683D-01  0.342939D+01 -0.492003D+00  0.183375D+01  0.163471D+02
      2   0.123685D+01 -0.492003D+00  0.145061D+01  0.906090D+00  0.121911D+00
      3  -0.378627D+00  0.183375D+01  0.906090D+00 -0.659231D+01 -0.197672D+01
                11            12            13            14            15 
      1   0.121911D+00 -0.197672D+01 -0.733904D+00  0.232899D+01 -0.153673D+00
      2   0.695997D+00 -0.685525D+00  0.232899D+01 -0.542824D+01 -0.334225D+01
      3  -0.685525D+00  0.242072D+01 -0.153673D+00 -0.334225D+01 -0.252625D+01
                16            17            18            19            20 
      1  -0.403892D+01  0.357069D-01  0.388008D+01  0.406739D+01  0.281241D+01
      2   0.357069D-01 -0.368512D+01 -0.170369D+01  0.281241D+01 -0.993203D+00
      3   0.388008D+01 -0.170369D+01 -0.163425D+01  0.612555D-01  0.515399D+00
                21            22            23            24            25 
      1   0.612555D-01  0.517361D+01  0.372097D+00 -0.217736D+00 -0.210572D+01
      2   0.515399D+00  0.372097D+00 -0.245664D+01 -0.851137D+00  0.138207D+01
      3  -0.847168D+00 -0.217736D+00 -0.851137D+00  0.961005D+00 -0.616708D+00
                26            27            28            29            30 
      1   0.138207D+01 -0.616708D+00 -0.172307D+01 -0.198124D+01  0.110178D+01
      2  -0.112401D+01  0.306940D+00 -0.198124D+01 -0.254795D+01  0.841451D-01
      3   0.306940D+00  0.604098D+01  0.110178D+01  0.841451D-01 -0.140344D+01
                31            32            33            34            35 
      1  -0.224559D+01 -0.275688D+01  0.424419D+00  0.192047D+01  0.877021D-01
      2  -0.275688D+01  0.343678D+01  0.669211D+00  0.877021D-01  0.807297D+00
      3   0.424419D+00  0.669211D+00 -0.125168D+01 -0.158755D+01 -0.124454D+01
                36            37            38            39            40 
      1  -0.158755D+01 -0.488532D+01 -0.275826D+01 -0.257491D+00 -0.260747D+01
      2  -0.124454D+01 -0.275826D+01  0.817892D+00  0.747576D-01  0.334129D+01
      3  -0.404279D+01 -0.257491D+00  0.747576D-01 -0.602518D+00 -0.785338D-01
                41            42            43            44            45 
      1   0.334129D+01 -0.785338D-01  0.402841D+00 -0.190154D+00 -0.243544D+00
      2   0.685544D+01 -0.325681D-01 -0.190154D+00  0.572105D+00  0.179611D+00
      3  -0.325681D-01  0.409031D+00 -0.243544D+00  0.179611D+00 -0.162672D+00
                46            47            48            49            50 
      1  -0.157763D+01 -0.316771D+01  0.632788D-01 -0.419659D+01 -0.345971D+01
      2  -0.316771D+01 -0.247156D+01 -0.191108D+00 -0.345971D+01 -0.132435D+02
      3   0.632788D-01 -0.191108D+00 -0.522657D-01  0.401472D-03  0.424551D-01
                51            52            53            54            55 
      1   0.401472D-03 -0.200899D+00  0.310984D-01 -0.115217D+01 -0.889458D+01
      2   0.424551D-01  0.310984D-01  0.886157D-01 -0.318174D+01  0.209629D+01
      3  -0.237289D+01 -0.115217D+01 -0.318174D+01  0.202292D+00  0.250538D+00
                56            57            58            59            60 
      1   0.209629D+01  0.250538D+00 -0.162565D+01 -0.441360D+01 -0.141887D+00
      2  -0.215226D+01 -0.283615D+00 -0.441360D+01 -0.185565D+01  0.158633D+00
      3  -0.283615D+00 -0.757249D+00 -0.141887D+00  0.158633D+00  0.405517D+00
                61            62            63            64            65 
      1   0.134519D+01  0.191738D-01 -0.201912D+01  0.373289D+00 -0.516729D+00
      2   0.191738D-01  0.695605D-01  0.113526D+01 -0.516729D+00  0.343461D+00
      3  -0.201912D+01  0.113526D+01  0.421893D+00 -0.901320D+00 -0.571748D-01
                66            67            68            69            70 
      1  -0.901320D+00 -0.119073D+01  0.896234D-01  0.110173D+00 -0.185529D+01
      2  -0.571748D-01  0.896234D-01  0.468312D+00 -0.988211D+00 -0.196671D+00
      3   0.970773D+00  0.110173D+00 -0.988211D+00 -0.341409D+00  0.116755D+00
                71            72            73            74            75 
      1  -0.196671D+00  0.116755D+00  0.968920D-01  0.638249D-01  0.931117D+00
      2  -0.134699D+01 -0.670941D-01  0.638249D-01 -0.433172D-01 -0.979892D-01
      3  -0.670941D-01 -0.754161D+01  0.931117D+00 -0.979892D-01 -0.514518D+00
                76            77            78            79            80 
      1   0.102657D+01 -0.275285D+00 -0.172607D+00  0.301360D+01  0.181562D+00
      2  -0.275285D+00 -0.631891D+00  0.870574D+00  0.181562D+00  0.118234D+01
      3  -0.172607D+00  0.870574D+00  0.356444D+00 -0.184138D+01 -0.133748D+01
                81            82            83            84            85 
      1  -0.184138D+01 -0.453705D+00 -0.517709D+00 -0.536534D+00 -0.205006D+01
      2  -0.133748D+01 -0.517709D+00  0.327910D-01 -0.419391D-01 -0.602043D+00
      3   0.787919D+01 -0.536534D+00 -0.419391D-01 -0.735181D-02 -0.118352D+00
                86            87            88            89            90 
      1  -0.602043D+00 -0.118352D+00 -0.187870D+01 -0.238319D+00 -0.258833D+00
      2  -0.787410D+01 -0.649137D+00 -0.238319D+00 -0.152363D+01 -0.118147D+01
      3  -0.649137D+00 -0.101782D+01 -0.258833D+00 -0.118147D+01 -0.147623D+00
                91            92            93            94            95 
      1   0.147548D+01  0.218161D+01 -0.107960D+00  0.541460D+01  0.730350D-01
      2   0.218161D+01  0.426516D+00  0.145259D+00  0.730350D-01  0.519386D+01
      3  -0.107960D+00  0.145259D+00 -0.457851D+00  0.208318D-01  0.500771D-01
                96            97            98            99           100 
      1   0.208318D-01 -0.357814D+00 -0.926328D-01 -0.762919D+00  0.282126D+01
      2   0.500771D-01 -0.926328D-01 -0.174826D+00  0.648940D+00  0.195962D+01
      3   0.905880D+00 -0.762919D+00  0.648940D+00 -0.438690D-01 -0.874957D+00
               101           102           103           104           105 
      1   0.195962D+01 -0.874957D+00  0.294677D+01  0.237298D+01 -0.760639D+00
      2   0.360222D+01 -0.921723D+00  0.237298D+01  0.404851D+01 -0.953752D+00
      3  -0.921723D+00  0.113991D+01 -0.760639D+00 -0.953752D+00  0.115480D+01
               106           107           108           109           110 
      1  -0.265071D+01 -0.111468D+01  0.937575D+00 -0.426058D+00  0.660140D+00
      2  -0.111468D+01 -0.240016D+01  0.154600D+01  0.660140D+00  0.355991D+00
      3   0.937575D+00  0.154600D+01 -0.156063D+01  0.359532D+00  0.649433D+00
               111           112           113           114           115 
      1   0.359532D+00  0.682587D+00  0.191035D+00  0.443799D+00  0.175375D+01
      2   0.649433D+00  0.191035D+00  0.149976D+01  0.850397D+00  0.203155D+00
      3   0.512871D+00  0.443799D+00  0.850397D+00  0.104922D+01  0.102467D+01
               116           117           118           119           120 
      1   0.203155D+00  0.102467D+01  0.623522D+00  0.126617D+01  0.596166D+00
      2   0.256268D+01  0.214851D+01  0.126617D+01  0.145504D+01  0.225659D+00
      3   0.214851D+01  0.610526D+01  0.596166D+00  0.225659D+00  0.357342D+00
               121           122           123           124           125 
      1   0.311790D+01  0.183351D+01  0.737371D+00  0.122281D+01  0.383988D+00
      2   0.183351D+01  0.653509D+01  0.293886D+01  0.383988D+00  0.352153D+01
      3   0.737371D+00  0.293886D+01  0.264678D+01  0.689402D+00  0.184467D+01
               126 
      1   0.689402D+00
      2   0.184467D+01
      3   0.107614D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.152599D+01 -0.187064D+01  0.112390D+01 -0.137294D+01  0.642822D+01
      2   0.331692D+01  0.231179D+01 -0.371471D+01 -0.200923D+00  0.146577D+01
      3   0.270675D+01  0.360797D+01 -0.332506D+01  0.130079D+02 -0.429972D+01
                 6             7             8             9            10 
      1  -0.234878D+01  0.309846D+01  0.330469D+01 -0.496727D+01 -0.309593D-01
      2  -0.191758D+01 -0.108031D+02 -0.293815D+00 -0.200433D+01 -0.942697D+01
      3  -0.249198D+01 -0.165261D+01 -0.122439D+01 -0.135365D+01 -0.777632D+01
                11            12            13            14            15 
      1   0.224740D+01  0.802276D+00  0.321435D+01 -0.144545D+01 -0.550847D+01
      2  -0.195298D+01  0.127838D+02  0.631609D+00 -0.102930D+02 -0.829611D+01
      3  -0.764232D+01  0.280386D+01  0.941331D+01  0.169530D+02  0.102146D+02
                16            17            18            19            20 
      1   0.370160D+01  0.967717D+01  0.492402D+00 -0.223287D+01  0.103339D+01
      2  -0.549173D+01 -0.485362D+01 -0.354338D+01  0.450332D+01 -0.165361D+01
      3  -0.317804D+01  0.116002D+02  0.249709D+01  0.610591D+01 -0.629151D+01
                21            22            23            24            25 
      1  -0.922460D+00  0.157055D+01  0.121683D+00 -0.181988D+00 -0.221327D+01
      2   0.302490D+01  0.145128D+01 -0.351805D+01  0.391687D+01 -0.271699D+01
      3   0.508813D+00 -0.450280D+01 -0.324719D+01  0.561389D+00  0.152561D+01
                26            27            28            29            30 
      1   0.435463D+01 -0.247993D+00 -0.351668D+01 -0.891681D+00  0.491329D+01
      2   0.319802D+00 -0.436638D+01 -0.231214D+01  0.245555D+01  0.555433D+01
      3   0.206057D+01 -0.495552D-01 -0.635913D+01 -0.128317D+02  0.174907D+01
                31            32            33            34            35 
      1  -0.258624D+01 -0.346526D+01 -0.214227D+01  0.489414D+01  0.726695D+01
      2   0.388089D+00  0.144514D+01 -0.161651D+01 -0.138873D+01 -0.469456D+00
      3  -0.444722D+00 -0.388874D-01  0.868269D+00  0.626328D+01  0.316563D-01
                36            37            38            39            40 
      1   0.867436D+01  0.148798D+01  0.791935D+00 -0.259069D-01  0.190334D+01
      2   0.377584D+01 -0.400683D+01  0.473580D+00 -0.631543D+01 -0.143651D+01
      3  -0.460634D+01 -0.842811D+01  0.184740D+01 -0.272552D+00  0.160693D+01
                41            42            43            44            45 
      1   0.128373D+00  0.973158D+01  0.261973D+00  0.977986D+01 -0.341199D+00
      2   0.222764D+01 -0.236335D+01 -0.189816D+02 -0.199909D+01  0.364004D+01
      3   0.135105D+02 -0.143611D+01  0.456786D+01 -0.194193D+01  0.119867D+01
                46            47            48            49            50 
      1  -0.361187D-01 -0.883153D-01 -0.268307D+01 -0.177958D+00  0.108080D+01
      2  -0.246442D+00 -0.113930D+00  0.548531D+01 -0.136702D+01 -0.135063D+01
      3  -0.168848D+01 -0.707618D+01  0.398186D-01  0.106864D+02 -0.231711D+02
                51            52            53            54            55 
      1  -0.114221D+02 -0.619854D+00  0.704196D+00  0.574791D+00 -0.107454D+01
      2   0.551453D+01  0.338612D+01  0.594262D+01 -0.108012D+01 -0.268822D+00
      3   0.677191D+00 -0.249231D+01  0.394476D+00 -0.574025D+01 -0.365088D+01
                56            57            58            59            60 
      1  -0.282966D+00  0.280476D+01  0.163408D+00 -0.274551D+00 -0.372212D+01
      2  -0.349814D+00  0.992507D+01  0.112289D+01  0.231103D-01 -0.169356D+01
      3  -0.180478D+02  0.252327D+00 -0.154085D+02 -0.119514D+02 -0.347682D+00
                61            62            63            64            65 
      1   0.361770D+00  0.208590D+01 -0.331133D+00  0.471656D+00 -0.961551D+00
      2   0.646096D+01 -0.112973D+01 -0.226993D+01  0.216663D+01 -0.307870D+00
      3  -0.972586D+00  0.212417D+01  0.222035D+01  0.533665D+00 -0.290594D+00
                66            67            68            69            70 
      1   0.157316D+00 -0.489737D+00 -0.556891D+00 -0.422015D+00  0.300700D+00
      2   0.455419D+00 -0.200460D+00  0.606645D+00 -0.131175D+00 -0.303301D+01
      3  -0.675621D-01  0.216839D+01 -0.214841D-01  0.395855D-01 -0.518354D+00
                71            72            73            74            75 
      1   0.255547D+01  0.130015D+01  0.693662D+00 -0.879076D+00 -0.916730D+00
      2   0.163326D-01  0.246196D+01  0.199521D+01 -0.627264D+00  0.257049D+01
      3  -0.517706D+00  0.781028D+00  0.382152D+00 -0.218425D+01 -0.176115D+00
                76            77            78            79            80 
      1  -0.622874D+00  0.293900D+00 -0.152973D+00 -0.249596D+01  0.187295D+01
      2  -0.605716D+00  0.606041D+00  0.224891D+00 -0.457465D+01 -0.676386D+00
      3   0.216881D+00  0.728480D+00 -0.117144D+00 -0.290652D+01 -0.351215D+00
                81            82            83            84            85 
      1   0.709458D+01 -0.748861D+00 -0.252350D-01 -0.507918D+00 -0.309908D-01
      2   0.451751D+01 -0.378263D+00  0.109301D+00  0.116372D+01 -0.218144D+00
      3   0.255725D+01  0.324539D+01 -0.229343D-01  0.902644D+00  0.657533D+01
                86            87            88            89            90 
      1  -0.367816D+01 -0.319426D+01 -0.264413D+00 -0.107633D+01 -0.261103D+00
      2  -0.233760D+00 -0.696529D+00 -0.128091D+01 -0.902427D+00 -0.386937D+00
      3   0.930844D+01  0.971642D+00  0.292372D+01  0.225872D+01  0.139725D+01
                91            92            93            94            95 
      1   0.685763D+00  0.898559D-01  0.963174D+00 -0.932569D-01  0.443614D+00
      2   0.472221D-01 -0.599376D+00 -0.118855D+01 -0.960013D-01 -0.514492D+00
      3   0.923959D+01  0.969259D+01  0.151502D+00  0.140513D+02  0.200966D+02
                96            97            98            99           100 
      1  -0.121389D+01  0.111389D+01  0.107289D+01  0.348699D+00  0.242192D+01
      2  -0.245536D+01 -0.158547D+01 -0.210744D+01  0.225753D-01  0.266466D+01
      3   0.777342D+00 -0.421950D+00 -0.103464D+01  0.283755D+00  0.109688D+02
               101           102           103           104           105 
      1   0.185434D+01 -0.362352D+01  0.173457D+01  0.204062D+01 -0.267689D+01
      2  -0.573184D+00  0.664575D-02  0.264825D+00  0.618663D+00  0.707221D+00
      3   0.323728D+01 -0.214351D+01  0.913975D+01  0.527801D+01 -0.213638D+01
               106           107           108           109           110 
      1  -0.305926D+01 -0.137254D+01  0.248248D+01 -0.563230D+00 -0.477985D+00
      2  -0.271095D+01  0.749084D+00 -0.851237D+00 -0.128730D+01  0.852173D-01
      3  -0.807277D+01 -0.275941D+01  0.212713D+01  0.462386D+00  0.125581D+01
               111           112           113           114           115 
      1  -0.199329D+01 -0.660959D+00 -0.185078D+01 -0.282609D+01 -0.336139D+01
      2  -0.568206D+00 -0.283046D+00 -0.673632D+00  0.637673D-01 -0.380266D+01
      3   0.427572D+00  0.247252D+01  0.566520D+00  0.146682D+01  0.401408D+01
               116           117           118           119           120 
      1  -0.248519D+01 -0.131209D+02  0.916282D+00 -0.539475D+00 -0.918333D-01
      2  -0.659511D+00 -0.305323D+01  0.293857D+01  0.311247D+00  0.166173D+01
      3   0.170296D+01  0.410130D+01 -0.595191D+01 -0.482353D+01 -0.419249D+00
               121           122           123           124           125 
      1  -0.225703D+01  0.116521D+01 -0.476425D+01 -0.150823D+01  0.182914D+01
      2   0.549134D+00  0.959052D+01  0.874290D+01 -0.846086D+00  0.585500D+01
      3  -0.161389D+01 -0.235030D+02 -0.933844D+01  0.920596D+00 -0.123435D+02
               126 
      1  -0.212944D+01
      2   0.342851D+01
      3  -0.541402D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.444032D+02 -0.490935D+01  0.396582D+01 -0.157105D+02  0.132372D+02
      2   0.245406D+02  0.302664D+01 -0.365763D+01  0.967796D+01 -0.148035D+02
      3   0.198626D+02  0.188272D+01 -0.308192D+00  0.603258D+01  0.156633D+01
      4   0.129243D+01 -0.587055D+01  0.302507D+01  0.914813D+01  0.126601D+01
      5   0.707226D+01  0.427255D+01 -0.129640D+02 -0.104415D+01  0.226279D+01
      6  -0.408281D+01  0.172656D+01 -0.891791D+00  0.161935D+01 -0.412041D+01
                 6             7             8             9            10 
      1   0.835487D+00  0.111841D+02  0.179620D+00  0.161462D+02  0.990344D+02
      2  -0.280475D+01 -0.998035D+01 -0.307104D+01 -0.104890D+01 -0.554662D+02
      3   0.196926D+01 -0.120371D+01  0.289142D+01 -0.150973D+02 -0.435682D+02
      4   0.135642D+01 -0.319147D+01  0.163675D+01  0.161509D+01 -0.501938D+01
      5  -0.370155D+01  0.740674D+01  0.996244D+00 -0.484685D+01 -0.117344D+02
      6   0.138968D+01 -0.799387D+00  0.169146D+01  0.339222D+01 -0.197672D+00
                11            12            13            14            15 
      1   0.104319D+01 -0.122342D+02  0.464777D+01  0.103746D+01  0.322499D+00
      2  -0.308976D+01  0.568254D+01 -0.754433D+01  0.940841D+01 -0.426634D+01
      3   0.204656D+01  0.655170D+01  0.289656D+01 -0.104459D+02  0.394384D+01
      4   0.155744D+02 -0.525295D+01  0.245240D+02 -0.337356D+02 -0.162160D+02
      5  -0.596826D+01  0.291492D+02 -0.333773D+01 -0.177601D+02 -0.127538D+02
      6   0.316916D+00 -0.123367D+01 -0.245398D+01 -0.668264D+01  0.147192D+02
                16            17            18            19            20 
      1  -0.184498D+02  0.365196D+01  0.405385D+01  0.295359D+00 -0.399826D+01
      2   0.776177D+01 -0.969494D+00 -0.204508D+02  0.483315D+01  0.263879D+01
      3   0.106881D+02 -0.268247D+01  0.163969D+02 -0.512851D+01  0.135947D+01
      4   0.401126D+00 -0.178454D+02 -0.107747D+02 -0.709068D+01  0.883822D+01
      5   0.358526D+02 -0.106497D+02 -0.604078D+01  0.401435D+01 -0.321268D+00
      6  -0.408799D+01  0.112975D+02 -0.343468D+01  0.131479D+01 -0.168681D+01
                21            22            23            24            25 
      1  -0.213729D+00  0.102854D+02  0.733782D+00  0.223224D+01 -0.103399D+02
      2  -0.182944D+01 -0.436792D+01 -0.610118D+01 -0.105258D+01  0.517313D+01
      3   0.204317D+01 -0.591752D+01  0.536739D+01 -0.117966D+01  0.516674D+01
      4  -0.684530D+00 -0.817443D+01  0.115242D+02 -0.196253D+01 -0.293477D+01
      5   0.225757D+01  0.178079D+00 -0.108585D+01  0.470527D+01 -0.169793D+01
      6  -0.128252D+00 -0.305576D+01 -0.907246D+00 -0.251432D+01 -0.157335D+00
                26            27            28            29            30 
      1   0.118468D+01  0.535076D+01  0.176742D+02  0.961383D+01  0.727973D+00
      2  -0.403544D+01  0.921514D+01 -0.154347D+02 -0.126615D+02  0.252082D+01
      3   0.285077D+01 -0.145659D+02 -0.223952D+01  0.304766D+01 -0.324879D+01
      4  -0.348614D+00  0.450439D+00 -0.392921D+01 -0.562883D+01  0.338274D+01
      5  -0.273057D+00 -0.251624D+01  0.715097D+00  0.178416D+01  0.529246D+01
      6   0.145475D+01  0.156189D+01  0.576531D+01  0.278676D+01 -0.874399D+01
                31            32            33            34            35 
      1   0.301320D+01 -0.125294D+02 -0.152403D+01 -0.856074D+00 -0.362753D+00
      2  -0.940717D+01  0.223351D+02  0.410685D+01  0.259928D+01  0.511873D+01
      3   0.639397D+01 -0.980565D+01 -0.258282D+01 -0.174320D+01 -0.475598D+01
      4   0.216875D+01 -0.154819D+02  0.152078D+01  0.410790D+01  0.121497D+01
      5   0.866882D+00  0.668964D+00 -0.321762D+01  0.435194D+01 -0.269163D+01
      6   0.315023D+01  0.503011D+01  0.937241D+00 -0.867013D+01 -0.340313D+01
                36            37            38            39            40 
      1   0.630672D+01 -0.996853D+01  0.156171D+02 -0.751199D+00 -0.159563D+01
      2  -0.298002D+01  0.301127D+01 -0.143555D+02 -0.148659D+01 -0.482415D+01
      3  -0.332670D+01  0.695726D+01 -0.126161D+01  0.223779D+01  0.641978D+01
      4  -0.706147D+01  0.992805D+01 -0.147991D+02  0.159306D+00 -0.263200D+02
      5   0.199770D+01 -0.151293D+01 -0.279303D+00 -0.883135D+01 -0.310305D+01
      6  -0.137193D+02 -0.686781D+00 -0.305739D+00  0.173531D+01 -0.824789D+00
                41            42            43            44            45 
      1   0.503957D+01 -0.422552D-01  0.484002D+01 -0.428211D+01 -0.445006D+01
      2  -0.173253D+02  0.269572D+00 -0.353081D+01  0.300832D+01 -0.662491D+01
      3   0.122858D+02 -0.227317D+00 -0.130921D+01  0.127379D+01  0.110750D+02
      4  -0.308118D+02  0.900584D+00  0.779540D-02  0.332071D+01 -0.260729D+01
      5   0.324619D+00 -0.291923D+01  0.377451D+01 -0.215844D+01  0.423857D+01
      6  -0.169779D+01 -0.136970D+02 -0.338431D+00  0.380511D+01  0.110405D+01
                46            47            48            49            50 
      1   0.118548D+02  0.613000D+01 -0.245112D+00  0.113094D+02 -0.231679D+02
      2  -0.176113D+01  0.289094D+01  0.494762D+00  0.313594D+01  0.445813D+02
      3  -0.100936D+02 -0.902094D+01 -0.249650D+00 -0.144453D+02 -0.214134D+02
      4   0.196795D+02  0.244466D+02 -0.713835D-01  0.295992D+02  0.578780D+02
      5   0.677749D+00  0.177701D+00  0.853021D+01  0.187607D+01  0.609538D+00
      6   0.480536D+00  0.606282D+00  0.372702D+01  0.124977D+01  0.158072D+01
                51            52            53            54            55 
      1  -0.673346D+00 -0.999981D+00  0.350794D+00 -0.356162D+01  0.586508D+02
      2   0.920771D-01  0.114289D+01 -0.873469D+00  0.315585D+01 -0.348148D+02
      3   0.581269D+00 -0.142911D+00  0.522676D+00  0.405774D+00 -0.238360D+02
      4   0.191600D+00 -0.284745D+00 -0.116677D+01  0.134362D+02 -0.232121D+02
      5   0.110107D+02  0.980593D+01  0.138616D+02 -0.867022D+00 -0.313816D+00
      6   0.175913D+02  0.437491D+01  0.141887D+02 -0.456483D+00  0.553620D+00
                56            57            58            59            60 
      1  -0.111974D+02  0.389818D+00  0.645446D+01  0.151191D+02 -0.659881D+00
      2   0.440641D+01  0.366600D+00 -0.732871D+01 -0.729296D+01  0.148584D+00
      3   0.679098D+01 -0.756418D+00  0.874251D+00 -0.782614D+01  0.511297D+00
      4   0.212929D+02  0.289458D+00  0.223339D+02 -0.138768D+01 -0.893632D+00
      5  -0.250859D+00  0.182571D+02 -0.276424D+00 -0.101436D+01 -0.426892D+01
      6  -0.218099D+00 -0.456201D+01 -0.810941D+00  0.967817D+00  0.720374D+01
                61            62            63            64            65 
      1  -0.204270D+01  0.146245D+01  0.701481D+01  0.490958D+00  0.360229D+00
      2   0.171770D+01 -0.308096D+00 -0.875796D+01 -0.339940D+01 -0.218019D+00
      3   0.325004D+00 -0.115436D+01  0.174314D+01  0.290845D+01 -0.142210D+00
      4   0.102086D+01 -0.192413D+01 -0.550058D+01  0.184493D+00  0.292509D+00
      5   0.165274D+02 -0.606400D+01 -0.378875D+01 -0.522898D+00 -0.237659D-02
      6  -0.196555D+01  0.486244D+01  0.565247D+00 -0.469251D+00  0.479617D+00
                66            67            68            69            70 
      1   0.115846D+01  0.433110D+00 -0.470919D+01 -0.347632D+00  0.200707D+01
      2   0.970385D+00  0.481048D+00  0.987236D+00 -0.951331D+00  0.107009D+01
      3  -0.212885D+01 -0.914158D+00  0.372195D+01  0.129896D+01 -0.307716D+01
      4  -0.255318D+00  0.204863D+01 -0.802851D+00  0.249724D+00  0.129918D+01
      5   0.449567D+01  0.441174D+00  0.273353D-01 -0.278423D+00  0.360767D+01
      6   0.448521D+00  0.314262D+00  0.572319D+00  0.651441D+01  0.184050D+00
                71            72            73            74            75 
      1   0.114700D+01 -0.177969D+02  0.302707D+01 -0.978334D-01  0.375490D+01
      2  -0.103098D+01 -0.127090D+02 -0.453047D+01  0.800293D-01  0.635917D+00
      3  -0.116018D+00  0.305060D+02  0.150340D+01  0.178041D-01 -0.439082D+01
      4   0.941716D+00 -0.728053D+00  0.258201D+00  0.298372D+01 -0.203921D+01
      5   0.717457D-01  0.143503D+01 -0.146450D+01 -0.152268D+01  0.778043D+01
      6   0.354176D+01 -0.256305D+01 -0.710824D+00 -0.122280D+01  0.101173D+01
                76            77            78            79            80 
      1   0.259138D+01 -0.534373D+01  0.831489D+00  0.118790D+02  0.484660D+01
      2  -0.110976D+01  0.275439D+01 -0.841494D+00 -0.198886D+01 -0.493037D+00
      3  -0.148161D+01  0.258934D+01  0.100050D-01 -0.989017D+01 -0.435357D+01
      4   0.744879D+00 -0.486171D+00  0.553758D+00 -0.875208D+00  0.255330D+00
      5  -0.125512D+01  0.335229D+00  0.293423D+00  0.131438D+01 -0.118015D+01
      6  -0.145340D+01 -0.192163D+01  0.554077D+01  0.167099D+01  0.560078D+01
                81            82            83            84            85 
      1  -0.264906D+02  0.251525D+01 -0.992242D+00 -0.862851D+00 -0.595712D+01
      2  -0.695798D+01  0.982315D+00  0.836539D+00  0.115997D+01  0.470686D+01
      3   0.334485D+02 -0.349757D+01  0.155703D+00 -0.297122D+00  0.125026D+01
      4  -0.724873D+00  0.412639D+00  0.498419D+01  0.121937D+00  0.279510D+01
      5   0.593572D+01 -0.700367D+00 -0.350085D+00  0.163957D+01 -0.913057D+00
      6  -0.103663D+02  0.794847D+00  0.649136D-01  0.116948D+00 -0.191787D+00
                86            87            88            89            90 
      1  -0.196274D+02 -0.144431D+01 -0.404366D+01 -0.397579D+01 -0.534756D+01
      2   0.287512D+02  0.307503D+01  0.291861D+01  0.459059D+01  0.280053D+01
      3  -0.912375D+01 -0.163072D+01  0.112504D+01 -0.614792D+00  0.254703D+01
      4  -0.108433D+02 -0.884867D+00 -0.522889D+00 -0.259449D+01 -0.148472D+01
      5  -0.129795D+01 -0.145869D+01  0.673593D+00 -0.158973D+01 -0.551891D+00
      6   0.567069D+00  0.441409D+01  0.580449D+00  0.592234D+01  0.144924D+01
                91            92            93            94            95 
      1  -0.138344D+02 -0.484113D+01 -0.147465D+00 -0.191031D+02 -0.686802D+01
      2   0.115535D+02  0.112132D+01  0.267389D+00  0.101441D+02  0.108957D+02
      3   0.228094D+01  0.371981D+01 -0.119925D+00  0.895894D+01 -0.402767D+01
      4  -0.447232D+01  0.388547D+00 -0.439283D+00  0.824638D+01 -0.219718D+02
      5   0.388378D+00  0.280056D+00 -0.162076D+01  0.815061D+00  0.432472D+00
      6  -0.275894D+00 -0.868549D-01 -0.182508D+01  0.296109D+00 -0.164959D+00
                96            97            98            99           100 
      1   0.202422D+00  0.110151D+01  0.341064D+00 -0.485855D+00 -0.269293D+01
      2  -0.200038D+00 -0.671532D+00 -0.382858D+00 -0.116942D+00  0.686821D+01
      3  -0.238357D-02 -0.429982D+00  0.417938D-01  0.602797D+00 -0.417528D+01
      4  -0.112240D+00 -0.217583D+00  0.554769D+00 -0.336788D+01  0.733810D+01
      5  -0.454366D+01  0.384495D+01 -0.309772D+01  0.210435D+00 -0.161128D+01
      6   0.180312D+01 -0.188921D+01  0.285843D+01 -0.386947D+00 -0.548231D+01
               101           102           103           104           105 
      1  -0.101792D+02  0.201366D+01 -0.619167D+01 -0.112300D+02  0.274946D+01
      2   0.149120D+02 -0.408655D+01  0.100444D+02  0.179008D+02 -0.487604D+01
      3  -0.473278D+01  0.207289D+01 -0.385276D+01 -0.667078D+01  0.212658D+01
      4   0.103467D+02 -0.374024D+01  0.994046D+01  0.833600D+01 -0.320775D+01
      5  -0.227005D+01  0.173439D+01 -0.372160D+00 -0.182320D+01  0.147041D+01
      6  -0.599387D+01  0.628756D+01 -0.470937D+01 -0.644516D+01  0.566112D+01
               106           107           108           109           110 
      1   0.281974D+01  0.730308D+01 -0.599392D+01 -0.202758D+01 -0.214770D+01
      2  -0.418312D+01 -0.828861D+01  0.418248D+01  0.164305D+01  0.231808D+01
      3   0.136337D+01  0.985524D+00  0.181144D+01  0.384532D+00 -0.170377D+00
      4  -0.531385D+01 -0.438678D+01  0.465786D+01 -0.162599D+00  0.292588D+01
      5   0.180896D+01  0.248965D+01 -0.239068D+01  0.747577D+00  0.946804D+00
      6   0.570173D+01  0.882207D+01 -0.683858D+01  0.107530D+01  0.289281D+01
               111           112           113           114           115 
      1  -0.206504D+01 -0.339074D+00 -0.498771D+01 -0.298519D+01 -0.536109D+00
      2   0.133149D+01  0.431877D+00  0.541558D+01  0.325320D+01 -0.448689D+00
      3   0.733548D+00 -0.928031D-01 -0.427871D+00 -0.268010D+00  0.984797D+00
      4   0.160666D+01  0.360186D+01  0.169210D+01  0.150108D+01  0.366933D+01
      5   0.160457D+01  0.255577D+00  0.511898D+00  0.107900D+01  0.223773D+01
      6   0.355743D+01  0.245356D+01  0.413627D+01  0.733433D+01  0.453019D+01
               116           117           118           119           120 
      1  -0.860958D+01 -0.130692D+02  0.569721D+01  0.616012D+01  0.372411D+01
      2   0.610768D+01 -0.388952D+00 -0.118198D+01 -0.218664D+01 -0.197723D+01
      3   0.250190D+01  0.134582D+02 -0.451523D+01 -0.397348D+01 -0.174689D+01
      4   0.174053D+01  0.265904D+01  0.521388D+01  0.133604D+02  0.303549D+01
      5   0.253809D+00  0.163897D+00  0.365609D+01  0.264136D+01  0.436277D+01
      6   0.107242D+02  0.232567D+02  0.192115D+01  0.640316D+00  0.500280D+00
               121           122           123           124           125 
      1   0.988167D+01  0.539311D+00  0.107787D+01  0.382921D+01 -0.266218D+01
      2  -0.347884D+01  0.800731D+01  0.289759D+01 -0.118768D+01  0.120255D+01
      3  -0.640283D+01 -0.854662D+01 -0.397546D+01 -0.264154D+01  0.145964D+01
      4   0.140781D+02  0.352458D+02  0.164144D+02  0.283431D+01  0.186014D+02
      5   0.586884D+01  0.178086D+02  0.145831D+02  0.522652D+01  0.104524D+02
      6   0.382809D+01  0.822326D+01  0.479018D+01  0.128673D+01  0.776905D+01
               126 
      1  -0.280184D+01
      2  -0.443751D+00
      3   0.324559D+01
      4   0.943098D+01
      5   0.643221D+01
      6   0.557371D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 19:42:06 2021, MaxMem=  5368709120 cpu:            2965.1 elap:             371.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -88.90002 -19.19567 -19.14208 -14.36583 -10.32384
 Alpha  occ. eigenvalues --  -10.25757 -10.23745  -7.96083  -5.92501  -5.92156
 Alpha  occ. eigenvalues --   -5.91493  -1.11689  -1.03663  -0.93961  -0.81491
 Alpha  occ. eigenvalues --   -0.73675  -0.64915  -0.61138  -0.56723  -0.52410
 Alpha  occ. eigenvalues --   -0.49705  -0.48062  -0.45545  -0.45020  -0.41849
 Alpha  occ. eigenvalues --   -0.39833  -0.38923  -0.35059  -0.32917  -0.31640
 Alpha  occ. eigenvalues --   -0.28067  -0.26096
 Alpha virt. eigenvalues --   -0.04035  -0.01496  -0.00513  -0.00052   0.00635
 Alpha virt. eigenvalues --    0.01652   0.02801   0.03189   0.03770   0.05190
 Alpha virt. eigenvalues --    0.06259   0.06300   0.07251   0.08050   0.08186
 Alpha virt. eigenvalues --    0.09275   0.09415   0.10090   0.10235   0.10556
 Alpha virt. eigenvalues --    0.11551   0.11825   0.12301   0.12681   0.13670
 Alpha virt. eigenvalues --    0.13996   0.14567   0.15150   0.16992   0.18071
 Alpha virt. eigenvalues --    0.19351   0.19759   0.19854   0.21081   0.21577
 Alpha virt. eigenvalues --    0.21704   0.22636   0.23760   0.24157   0.25129
 Alpha virt. eigenvalues --    0.25543   0.26719   0.27102   0.28728   0.29646
 Alpha virt. eigenvalues --    0.30521   0.31943   0.32053   0.32590   0.33864
 Alpha virt. eigenvalues --    0.34301   0.35042   0.36431   0.36750   0.37604
 Alpha virt. eigenvalues --    0.38599   0.40605   0.40825   0.41418   0.42180
 Alpha virt. eigenvalues --    0.43473   0.44053   0.44945   0.45447   0.46496
 Alpha virt. eigenvalues --    0.48132   0.48785   0.49461   0.52042   0.52404
 Alpha virt. eigenvalues --    0.53202   0.54363   0.55030   0.56548   0.57326
 Alpha virt. eigenvalues --    0.58161   0.59125   0.60443   0.62214   0.62513
 Alpha virt. eigenvalues --    0.63524   0.64560   0.66299   0.68496   0.69725
 Alpha virt. eigenvalues --    0.70966   0.71755   0.72348   0.73824   0.74863
 Alpha virt. eigenvalues --    0.77459   0.78683   0.80048   0.81309   0.82908
 Alpha virt. eigenvalues --    0.84247   0.85470   0.88197   0.89867   0.90797
 Alpha virt. eigenvalues --    0.91697   0.92456   0.94987   0.96167   0.96789
 Alpha virt. eigenvalues --    0.98326   0.98647   1.00333   1.01493   1.03507
 Alpha virt. eigenvalues --    1.05167   1.07649   1.08407   1.10872   1.12450
 Alpha virt. eigenvalues --    1.13456   1.15368   1.17498   1.17964   1.21781
 Alpha virt. eigenvalues --    1.22379   1.26084   1.29113   1.29287   1.31394
 Alpha virt. eigenvalues --    1.35193   1.37706   1.39464   1.44628   1.47187
 Alpha virt. eigenvalues --    1.50612   1.53184   1.54857   1.55737   1.58350
 Alpha virt. eigenvalues --    1.60292   1.63750   1.64289   1.66689   1.68849
 Alpha virt. eigenvalues --    1.71523   1.74487   1.75677   1.78203   1.78290
 Alpha virt. eigenvalues --    1.82161   1.82760   1.87312   1.88081   1.89838
 Alpha virt. eigenvalues --    1.91869   1.97336   1.98693   2.02605   2.04353
 Alpha virt. eigenvalues --    2.06357   2.08770   2.09615   2.10709   2.14390
 Alpha virt. eigenvalues --    2.14911   2.17320   2.20416   2.22101   2.25609
 Alpha virt. eigenvalues --    2.27027   2.28594   2.34292   2.35181   2.41421
 Alpha virt. eigenvalues --    2.46695   2.49697   2.52317   2.57720   2.60098
 Alpha virt. eigenvalues --    2.64639   2.68063   2.73020   2.78343   2.83081
 Alpha virt. eigenvalues --    2.96156   3.00221   3.02073   3.10448   3.26065
 Alpha virt. eigenvalues --    3.29977   3.34770   3.36098   3.38980   3.42484
 Alpha virt. eigenvalues --    3.45908   3.46925   3.55584   3.69831   3.79250
 Alpha virt. eigenvalues --    3.95559
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.205853   0.258893   0.228695  -0.002518  -0.203939   0.002843
     2  S    0.258893  15.782254  -0.046795   0.027474  -0.057164   0.008583
     3  C    0.228695  -0.046795   6.298894   0.032860  -0.975200   0.041286
     4  N   -0.002518   0.027474   0.032860   6.705974  -0.051374  -0.006065
     5  C   -0.203939  -0.057164  -0.975200  -0.051374   6.745137   0.189104
     6  O    0.002843   0.008583   0.041286  -0.006065   0.189104   8.346400
     7  O   -0.039092   0.002638   0.265384  -0.066319  -0.268581  -0.081453
     8  H   -0.145301  -0.045226  -0.179923  -0.073897  -0.087758   0.013060
     9  H    0.136317  -0.161792  -0.010160  -0.147135   0.029053   0.018839
    10  H   -0.032623  -0.264404   0.240153   0.007926  -0.049941  -0.029234
    11  H    0.019316  -0.002133  -0.184498   0.093118   0.003318   0.012077
    12  H    0.028510  -0.002948   0.051039   0.277810  -0.033063   0.001796
    13  H   -0.116013  -0.013042  -0.114997   0.406251   0.056897   0.001692
    14  H    0.020412   0.197445  -0.074712   0.040749   0.005614  -0.000524
               7          8          9         10         11         12
     1  C   -0.039092  -0.145301   0.136317  -0.032623   0.019316   0.028510
     2  S    0.002638  -0.045226  -0.161792  -0.264404  -0.002133  -0.002948
     3  C    0.265384  -0.179923  -0.010160   0.240153  -0.184498   0.051039
     4  N   -0.066319  -0.073897  -0.147135   0.007926   0.093118   0.277810
     5  C   -0.268581  -0.087758   0.029053  -0.049941   0.003318  -0.033063
     6  O   -0.081453   0.013060   0.018839  -0.029234   0.012077   0.001796
     7  O    8.349804   0.013784  -0.005851   0.005439   0.232253   0.004743
     8  H    0.013784   1.878602   0.113374  -0.067241  -0.006275  -0.094169
     9  H   -0.005851   0.113374   1.771675  -0.317891  -0.001750  -0.002352
    10  H    0.005439  -0.067241  -0.317891   1.784810   0.002556  -0.004786
    11  H    0.232253  -0.006275  -0.001750   0.002556   0.661796   0.002182
    12  H    0.004743  -0.094169  -0.002352  -0.004786   0.002182   0.954260
    13  H   -0.002959   0.041831   0.008069   0.001675  -0.006296  -0.177881
    14  H    0.000808  -0.022481  -0.067684   0.046545   0.001470   0.006015
              13         14
     1  C   -0.116013   0.020412
     2  S   -0.013042   0.197445
     3  C   -0.114997  -0.074712
     4  N    0.406251   0.040749
     5  C    0.056897   0.005614
     6  O    0.001692  -0.000524
     7  O   -0.002959   0.000808
     8  H    0.041831  -0.022481
     9  H    0.008069  -0.067684
    10  H    0.001675   0.046545
    11  H   -0.006296   0.001470
    12  H   -0.177881   0.006015
    13  H    0.936416  -0.007218
    14  H   -0.007218   0.883651
 Mulliken charges:
               1
     1  C    0.638647
     2  S    0.316218
     3  C    0.427974
     4  N   -0.244854
     5  C    0.697897
     6  O   -0.518403
     7  O   -0.410600
     8  H   -0.338378
     9  H   -0.362713
    10  H   -0.322983
    11  H    0.172865
    12  H   -0.011155
    13  H   -0.014425
    14  H   -0.030091
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.047049
     2  S    0.286127
     3  C    0.089596
     4  N   -0.270434
     5  C    0.697897
     6  O   -0.518403
     7  O   -0.237734
 Electronic spatial extent (au):  <R**2>=           1133.3321
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.5079    Y=              3.7070    Z=              0.5704  Tot=              4.5119
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.2395   YY=            -49.8343   ZZ=            -47.5730
   XY=             -1.9900   XZ=              1.4680   YZ=              1.3948
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.6906   YY=              3.7147   ZZ=              5.9759
   XY=             -1.9900   XZ=              1.4680   YZ=              1.3948
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              2.2090  YYY=             14.7535  ZZZ=              2.3158  XYY=              8.1909
  XXY=             18.2266  XXZ=              0.1440  XZZ=             -6.9522  YZZ=              2.7118
  YYZ=              0.8808  XYZ=              2.0690
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1176.0231 YYYY=           -310.1473 ZZZZ=            -82.2111 XXXY=             11.1445
 XXXZ=              2.8784 YYYX=             -9.5275 YYYZ=              3.1355 ZZZX=              3.0622
 ZZZY=              3.5840 XXYY=           -235.6120 XXZZ=           -200.0386 YYZZ=            -61.6257
 XXYZ=              7.6709 YYXZ=             -1.8576 ZZXY=              2.3445
 N-N= 3.742525643152D+02 E-N=-2.452461996210D+03  KE= 7.191501383501D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 19:42:06 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.00807511D+00 1.49224262D+00 2.23181640D-01
 Polarizability= 8.36422555D+01 1.23653984D+00 7.02428125D+01
                -1.54045702D+00 6.60536905D-01 5.22931836D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.2942    0.2943        0.2102    0.2105
 2     -0.2942   -0.2943        0.4313    0.4311       -7.7990   -7.7997
 3     -0.2102   -0.2105       16.5243   16.5236       -0.4316   -0.4311
 4     -0.4313   -0.4311        0.0000    0.0000       -0.2086   -0.2105
 5     -8.7253   -8.7238        0.2086    0.2105        0.2909    0.2943
 6      0.4316    0.4311       -0.2909   -0.2943        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.8830   -0.8830        0.6315    0.6315
 2     -1.2934   -1.2934        0.0000    0.0000        0.6315    0.6315
 3     -1.2934   -1.2934       -0.8830   -0.8830       -0.0000    0.0000
 4     -0.8830   -0.8830        1.2934    1.2934      -23.3992  -23.3992
 5     -0.6315   -0.6315       49.5707   49.5707       -1.2934   -1.2934
 6    -26.1715  -26.1715        0.6315    0.6315        0.8830    0.8830
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0134    0.0000       -1.2052   -1.1773       -0.7965   -0.8420
 2      1.1949    1.1773       -1.6818   -1.7245       31.3914   31.1990
 3      0.8607    0.8420      -66.1626  -66.0943        1.6218    1.7245
 4      1.7548    1.7245       -0.0067    0.0000        0.7919    0.8420
 5     34.8887   34.8953       -0.8055   -0.8420       -1.0987   -1.1773
 6     -1.7480   -1.7245        1.1298    1.1773        0.0241    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0196    0.0000       -2.9157   -2.9519       -0.0085   -0.0154
 2      2.9075    2.9519       20.0441   20.0678       -2.8815   -2.6792
 3      0.0045    0.0154       14.4120   14.5144      -20.3089  -20.0678
 4    -20.0388  -20.0678       -0.0166    0.0000        0.1307    0.0154
 5    -11.8604  -11.8352       -0.2596   -0.0154       -2.6315   -2.9519
 6     20.0328   20.0678        2.9240    2.9519       -0.1186    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.9660  -18.9323        5.5930    5.6500       -0.8139   -0.8055
 2    -50.4948  -50.4865        4.6294    4.6700       -0.6361   -0.8055
 3    -50.5046  -50.4865        5.6147    5.6500       -1.5892   -1.7411
 4      0.9573    0.9800       31.4670   31.5542        2.6320    2.6575
 5     -0.9705   -0.9355       15.5944   15.6517      -31.6186  -31.5542
 6    -18.3295  -18.3092        0.6007    0.9355       -0.4830   -0.9800
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.2556   -1.2026    0.0017    0.0025    0.0027    3.2043
 Low frequencies ---   70.6550   93.3205  178.9969
 Diagonal vibrational polarizability:
       27.0245173      36.2817680      21.9730227
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.6522                93.3204               178.9969
 Red. masses --      5.0198                 3.2598                 4.7319
 Frc consts  --      0.0148                 0.0167                 0.0893
 IR Inten    --      1.9555                 6.3296                 9.4754
 RamAct Fr= 1--      0.4836                 0.3145                 0.5545
  Dep-P Fr= 1--      0.7479                 0.6299                 0.6895
  Dep-U Fr= 1--      0.8557                 0.7729                 0.8162
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0006
 Beta2  Fr= 1--      0.0690                 0.0405                 0.0754
 AlphaG Fr= 1--      0.0005                -0.0038                -0.0005
 Gamma2 Fr= 1--      0.4657                 0.5794                -0.7261
 Delta2 Fr= 1--      0.3153                 0.2079                -0.1752
 Raman1 Fr= 1--       1.934                  1.258                  2.218
 ROA1   Fr= 1--      54.799                 62.274                -75.313
 CID1   Fr= 1--      28.329                 49.510                -33.957
 Raman2 Fr= 1--       0.828                  0.486                  0.905
 ROA2   Fr= 1--       8.656                 12.241                -16.026
 CID2   Fr= 1--      10.458                 25.183                -17.705
 Raman3 Fr= 1--       1.655                  0.972                  1.810
 ROA3   Fr= 1--      54.799                 62.274                -75.313
 CID3   Fr= 1--      33.104                 64.055                -41.602
 RC180  Fr= 1--       0.711                  0.546                  0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.08   0.07    -0.01  -0.15  -0.20    -0.08   0.05  -0.23
     2  16    -0.00  -0.03   0.08     0.00   0.12   0.08     0.03  -0.13   0.08
     3   6    -0.01  -0.01  -0.08    -0.01  -0.08  -0.11    -0.04   0.18  -0.14
     4   7    -0.01   0.03  -0.23     0.09  -0.09  -0.09    -0.11   0.15  -0.03
     5   6     0.00  -0.01  -0.02    -0.03  -0.00   0.01     0.04   0.04  -0.01
     6   8    -0.01  -0.02  -0.26    -0.09   0.01   0.08     0.22   0.02   0.12
     7   8     0.05  -0.02   0.35     0.04   0.06   0.08    -0.08  -0.10   0.07
     8   1     0.02  -0.15  -0.07    -0.10  -0.07  -0.12    -0.10   0.27  -0.16
     9   1    -0.07   0.24   0.06    -0.11  -0.41  -0.20    -0.20  -0.14  -0.23
    10   1    -0.04   0.04   0.22     0.11  -0.10  -0.44    -0.16   0.11  -0.40
    11   1     0.05  -0.02   0.33     0.08   0.03   0.01    -0.23  -0.03  -0.01
    12   1    -0.19   0.03  -0.46     0.17  -0.15  -0.05    -0.08   0.21   0.07
    13   1     0.23   0.16  -0.30     0.07  -0.13  -0.08    -0.17   0.07   0.00
    14   1    -0.05   0.13  -0.19    -0.11  -0.12   0.52     0.14  -0.26   0.30
                      4                      5                      6
                      A                      A                      A
 Frequencies --    221.6284               266.1813               327.3874
 Red. masses --      1.1447                 8.9496                 1.2096
 Frc consts  --      0.0331                 0.3736                 0.0764
 IR Inten    --     25.2567                 5.4161                11.4018
 RamAct Fr= 1--      0.2936                 3.3576                 0.2675
  Dep-P Fr= 1--      0.7500                 0.2217                 0.7413
  Dep-U Fr= 1--      0.8571                 0.3630                 0.8514
 Alpha2 Fr= 1--      0.0000                 0.0430                 0.0000
 Beta2  Fr= 1--      0.0419                 0.2031                 0.0380
 AlphaG Fr= 1--      0.0001                 0.0105                -0.0002
 Gamma2 Fr= 1--     -0.2199                 0.4000                -0.1412
 Delta2 Fr= 1--     -0.2206                 0.0820                 0.0580
 Raman1 Fr= 1--       1.174                 13.431                  1.070
 ROA1   Fr= 1--     -28.164                 41.028                -11.697
 CID1   Fr= 1--     -23.983                  3.055                -10.933
 Raman2 Fr= 1--       0.503                  2.438                  0.455
 ROA2   Fr= 1--      -3.512                  8.945                 -3.852
 CID2   Fr= 1--      -6.978                  3.670                 -8.458
 Raman3 Fr= 1--       1.007                  4.875                  0.911
 ROA3   Fr= 1--     -28.164                 41.028                -11.697
 CID3   Fr= 1--     -27.980                  8.415                -12.841
 RC180  Fr= 1--       0.714                 -0.274                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.06     0.16   0.12  -0.10     0.00  -0.01  -0.02
     2  16    -0.00   0.01  -0.04     0.36  -0.05   0.03     0.01   0.00   0.00
     3   6    -0.00  -0.00   0.03    -0.07  -0.02  -0.02    -0.01   0.02   0.05
     4   7    -0.01   0.02  -0.04    -0.30  -0.02   0.02     0.05   0.03   0.03
     5   6    -0.00  -0.00   0.01    -0.15  -0.04   0.02    -0.02  -0.00   0.03
     6   8    -0.00  -0.01  -0.03    -0.34  -0.01   0.01    -0.00  -0.01  -0.00
     7   8    -0.01  -0.01   0.01    -0.07   0.06   0.00    -0.05  -0.02  -0.05
     8   1     0.01  -0.04   0.04    -0.16   0.04  -0.04    -0.07   0.00   0.04
     9   1     0.07   0.09   0.06     0.20   0.13  -0.10     0.02  -0.09  -0.01
    10   1    -0.02   0.01   0.12     0.20   0.09  -0.05    -0.01   0.01  -0.08
    11   1    -0.02  -0.00  -0.03     0.05   0.01   0.04    -0.02  -0.02   0.18
    12   1     0.10  -0.06   0.01    -0.44   0.14   0.00    -0.42   0.12  -0.46
    13   1    -0.09   0.05  -0.02    -0.25  -0.02   0.01     0.70   0.11  -0.13
    14   1     0.40  -0.46   0.75     0.37   0.03  -0.10     0.04  -0.07   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    355.1031               412.6224               520.8332
 Red. masses --      3.1374                 2.3838                 6.0679
 Frc consts  --      0.2331                 0.2391                 0.9698
 IR Inten    --     21.2180                 3.2445                 0.9738
 RamAct Fr= 1--      3.8232                 0.3648                 2.4407
  Dep-P Fr= 1--      0.1753                 0.7476                 0.7457
  Dep-U Fr= 1--      0.2982                 0.8556                 0.8543
 Alpha2 Fr= 1--      0.0554                 0.0000                 0.0002
 Beta2  Fr= 1--      0.1900                 0.0520                 0.3475
 AlphaG Fr= 1--      0.0150                 0.0001                -0.0044
 Gamma2 Fr= 1--     -0.3670                -0.3528                 1.1384
 Delta2 Fr= 1--     -0.2636                -0.1534                 0.2850
 Raman1 Fr= 1--      15.293                  1.459                  9.763
 ROA1   Fr= 1--     -43.666                -38.777                118.408
 CID1   Fr= 1--      -2.855                -26.577                 12.128
 Raman2 Fr= 1--       2.281                  0.624                  4.170
 ROA2   Fr= 1--      -6.700                 -7.240                 25.042
 CID2   Fr= 1--      -2.938                -11.599                  6.005
 Raman3 Fr= 1--       4.561                  1.248                  8.340
 ROA3   Fr= 1--     -43.666                -38.777                118.408
 CID3   Fr= 1--      -9.574                -31.065                 14.197
 RC180  Fr= 1--      -0.404                  0.711                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.01     0.05  -0.15   0.01     0.02  -0.16   0.10
     2  16    -0.07  -0.01  -0.00    -0.01  -0.01  -0.01     0.06   0.02  -0.02
     3   6     0.03  -0.03  -0.09     0.02   0.00   0.19    -0.03  -0.16  -0.06
     4   7    -0.19  -0.05   0.08    -0.14   0.08  -0.10    -0.15  -0.26   0.00
     5   6     0.07  -0.04  -0.06     0.03   0.02   0.09    -0.04   0.21  -0.06
     6   8     0.01  -0.03   0.06     0.04   0.01  -0.06     0.28   0.18  -0.01
     7   8     0.25   0.10  -0.02     0.05   0.04  -0.02    -0.19   0.13   0.03
     8   1     0.10   0.06  -0.08    -0.00  -0.08   0.19     0.06  -0.24  -0.04
     9   1    -0.08   0.11  -0.01     0.10  -0.57   0.02     0.06   0.07   0.10
    10   1    -0.06   0.02   0.07     0.01  -0.03  -0.39     0.10  -0.22   0.29
    11   1     0.51   0.00   0.10     0.09   0.02  -0.10    -0.20   0.14   0.14
    12   1    -0.60   0.24  -0.14    -0.13   0.03  -0.14    -0.45  -0.01  -0.10
    13   1     0.16  -0.10   0.00    -0.34   0.39  -0.09     0.05  -0.32  -0.04
    14   1     0.05  -0.13   0.21    -0.15   0.02  -0.05    -0.04  -0.02   0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    596.0764               696.8288               738.9866
 Red. masses --      3.6751                 6.4385                 1.5778
 Frc consts  --      0.7693                 1.8420                 0.5077
 IR Inten    --     10.6838                10.8593                 9.0057
 RamAct Fr= 1--      1.3229                12.8676                 0.6427
  Dep-P Fr= 1--      0.2238                 0.1432                 0.6990
  Dep-U Fr= 1--      0.3658                 0.2505                 0.8228
 Alpha2 Fr= 1--      0.0169                 0.2024                 0.0006
 Beta2  Fr= 1--      0.0807                 0.5372                 0.0881
 AlphaG Fr= 1--      0.0086                 0.0530                -0.0058
 Gamma2 Fr= 1--      0.3941                -0.5683                 0.8256
 Delta2 Fr= 1--      0.1640                -0.4669                 0.0450
 Raman1 Fr= 1--       5.292                 51.471                  2.571
 ROA1   Fr= 1--      43.083                -69.500                 80.697
 CID1   Fr= 1--       8.142                 -1.350                 31.392
 Raman2 Fr= 1--       0.968                  6.447                  1.058
 ROA2   Fr= 1--       8.147                 -9.904                 19.455
 CID2   Fr= 1--       8.417                 -1.536                 18.395
 Raman3 Fr= 1--       1.936                 12.894                  2.115
 ROA3   Fr= 1--      43.083                -69.500                 80.697
 CID3   Fr= 1--      22.257                 -5.390                 38.152
 RC180  Fr= 1--      -0.268                 -0.499                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.13  -0.11     0.32   0.19  -0.15     0.07   0.10   0.04
     2  16     0.02  -0.01   0.02    -0.16  -0.04   0.05    -0.04  -0.01   0.01
     3   6    -0.21  -0.05   0.06     0.15  -0.04  -0.03    -0.01  -0.01   0.02
     4   7     0.02  -0.06  -0.01    -0.04  -0.16  -0.02     0.01  -0.03  -0.01
     5   6    -0.06  -0.03   0.24     0.19   0.09   0.26    -0.07  -0.02  -0.11
     6   8     0.14  -0.09  -0.10    -0.10   0.16  -0.07     0.03  -0.04   0.03
     7   8     0.05   0.14  -0.07    -0.04  -0.12  -0.06    -0.03   0.06   0.03
     8   1    -0.60  -0.11   0.01    -0.19  -0.12  -0.08     0.15  -0.04   0.05
     9   1    -0.04   0.23  -0.11     0.20   0.13  -0.15    -0.08  -0.42   0.04
    10   1    -0.01   0.09   0.03     0.38   0.16  -0.10     0.32   0.20  -0.42
    11   1     0.30   0.03  -0.00    -0.33   0.01   0.09     0.07   0.01   0.01
    12   1     0.29  -0.33   0.05    -0.22   0.11   0.03     0.07  -0.11  -0.01
    13   1     0.05  -0.14  -0.00    -0.12  -0.19  -0.00     0.07  -0.05  -0.02
    14   1     0.11   0.04  -0.07     0.19  -0.03  -0.01     0.59   0.08  -0.20
                     13                     14                     15
                      A                      A                      A
 Frequencies --    786.2754               838.7083               860.6221
 Red. masses --      2.8062                 1.2934                 1.7376
 Frc consts  --      1.0222                 0.5360                 0.7583
 IR Inten    --      1.0052               125.3862                65.4822
 RamAct Fr= 1--      1.6231                 1.9738                10.2997
  Dep-P Fr= 1--      0.6118                 0.5616                 0.2044
  Dep-U Fr= 1--      0.7592                 0.7193                 0.3394
 Alpha2 Fr= 1--      0.0041                 0.0071                 0.1382
 Beta2  Fr= 1--      0.2054                 0.2366                 0.5827
 AlphaG Fr= 1--     -0.0116                 0.0338                -0.0662
 Gamma2 Fr= 1--      0.6465                -1.5334                -0.0545
 Delta2 Fr= 1--      0.5134                -0.3482                -0.1164
 Raman1 Fr= 1--       6.492                  7.895                 41.199
 ROA1   Fr= 1--      78.487               -158.344                 -8.953
 CID1   Fr= 1--      12.089                -20.056                 -0.217
 Raman2 Fr= 1--       2.464                  2.840                  6.992
 ROA2   Fr= 1--      11.408                -34.015                 -0.376
 CID2   Fr= 1--       4.629                -11.979                 -0.054
 Raman3 Fr= 1--       4.929                  5.679                 13.984
 ROA3   Fr= 1--      78.487               -158.344                 -8.953
 CID3   Fr= 1--      15.924                -27.882                 -0.640
 RC180  Fr= 1--       0.518                  0.439                 -0.321
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.22  -0.02  -0.08     0.06  -0.04   0.01    -0.08  -0.00   0.05
     2  16    -0.05  -0.02   0.02    -0.01  -0.00   0.00     0.01   0.01  -0.01
     3   6     0.06   0.01  -0.01    -0.01  -0.03  -0.03     0.11   0.05  -0.07
     4   7     0.05   0.05   0.01    -0.06   0.10  -0.02     0.08  -0.05  -0.03
     5   6    -0.14  -0.07  -0.05     0.00   0.00  -0.02    -0.03  -0.03   0.12
     6   8     0.05  -0.12   0.01     0.00   0.00   0.02     0.00  -0.05  -0.02
     7   8    -0.09   0.13   0.03    -0.00  -0.00  -0.04    -0.05   0.04  -0.04
     8   1     0.05   0.12  -0.01    -0.03  -0.05  -0.03     0.09  -0.03  -0.06
     9   1     0.38   0.32  -0.08     0.08  -0.00   0.01    -0.23  -0.12   0.04
    10   1     0.09  -0.11   0.29     0.07  -0.05   0.06    -0.08   0.05  -0.12
    11   1     0.17   0.01  -0.13     0.08   0.00   0.85     0.16  -0.03   0.54
    12   1    -0.15   0.25  -0.02     0.33  -0.18   0.16    -0.26   0.45   0.09
    13   1    -0.21   0.24   0.04     0.16  -0.18  -0.02    -0.45   0.07   0.06
    14   1    -0.46  -0.09   0.18    -0.07   0.00   0.00     0.15   0.01  -0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --    887.7760               957.1437              1053.2165
 Red. masses --      2.3326                 1.4011                 2.0106
 Frc consts  --      1.0832                 0.7563                 1.3141
 IR Inten    --     41.7592                46.4077                28.7162
 RamAct Fr= 1--      6.2742                 4.3672                 1.2046
  Dep-P Fr= 1--      0.1118                 0.3973                 0.3228
  Dep-U Fr= 1--      0.2012                 0.5687                 0.4880
 Alpha2 Fr= 1--      0.1067                 0.0327                 0.0115
 Beta2  Fr= 1--      0.2104                 0.4139                 0.0980
 AlphaG Fr= 1--      0.0912                 0.1089                -0.0211
 Gamma2 Fr= 1--     -0.1923                -0.9106                 0.8829
 Delta2 Fr= 1--      0.2389                 0.3580                 0.0605
 Raman1 Fr= 1--      25.097                 17.469                  4.819
 ROA1   Fr= 1--     -10.819                -75.965                 86.696
 CID1   Fr= 1--      -0.431                 -4.349                 17.992
 Raman2 Fr= 1--       2.524                  4.967                  1.176
 ROA2   Fr= 1--      -6.527                -24.720                 20.707
 CID2   Fr= 1--      -2.586                 -4.977                 17.611
 Raman3 Fr= 1--       5.049                  9.934                  2.352
 ROA3   Fr= 1--     -10.819                -75.965                 86.696
 CID3   Fr= 1--      -2.143                 -7.647                 36.868
 RC180  Fr= 1--      -0.598                  0.137                 -0.024
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.10  -0.09     0.02  -0.11  -0.03    -0.09  -0.04  -0.13
     2  16     0.01  -0.01   0.00    -0.02   0.01   0.02    -0.01   0.02   0.02
     3   6    -0.06   0.02   0.17    -0.09  -0.03  -0.01     0.19  -0.02   0.08
     4   7     0.06  -0.15  -0.03     0.05   0.04   0.02    -0.07  -0.02   0.00
     5   6     0.01   0.02  -0.16     0.00   0.02  -0.03     0.04  -0.03   0.01
     6   8    -0.00   0.05   0.04     0.00   0.03   0.00    -0.00  -0.04  -0.00
     7   8     0.04  -0.04  -0.00     0.04  -0.03  -0.01    -0.06   0.06   0.01
     8   1    -0.02   0.09   0.17    -0.26   0.12  -0.04     0.31   0.21   0.08
     9   1     0.18   0.12  -0.07    -0.05   0.19  -0.04    -0.03   0.34  -0.14
    10   1    -0.19   0.11  -0.04     0.33  -0.24   0.26    -0.25  -0.11   0.17
    11   1     0.05  -0.02   0.57     0.02  -0.02   0.08    -0.05   0.05   0.05
    12   1    -0.11  -0.12  -0.17    -0.14   0.16  -0.07     0.17  -0.39  -0.08
    13   1    -0.39   0.36  -0.01    -0.26   0.31   0.04     0.15   0.19  -0.06
    14   1    -0.27  -0.04   0.09     0.59   0.10  -0.19     0.48   0.10  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1129.3687              1143.3226              1208.9876
 Red. masses --      2.6574                 1.3129                 2.2483
 Frc consts  --      1.9970                 1.0112                 1.9362
 IR Inten    --      5.0325                24.7985                18.7424
 RamAct Fr= 1--      1.5671                 4.4860                 4.4678
  Dep-P Fr= 1--      0.7471                 0.7475                 0.3689
  Dep-U Fr= 1--      0.8552                 0.8555                 0.5390
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0369
 Beta2  Fr= 1--      0.2234                 0.6396                 0.4013
 AlphaG Fr= 1--      0.0005                -0.0002                 0.0179
 Gamma2 Fr= 1--      0.9055                 1.1240                -0.1357
 Delta2 Fr= 1--     -0.0850                 1.1730                 0.1460
 Raman1 Fr= 1--       6.268                 17.944                 17.871
 ROA1   Fr= 1--      84.208                145.438                 -8.353
 CID1   Fr= 1--      13.434                  8.105                 -0.467
 Raman2 Fr= 1--       2.680                  7.676                  4.816
 ROA2   Fr= 1--      22.412                 17.592                 -4.424
 CID2   Fr= 1--       8.362                  2.292                 -0.919
 Raman3 Fr= 1--       5.361                 15.351                  9.632
 ROA3   Fr= 1--      84.208                145.438                 -8.353
 CID3   Fr= 1--      15.708                  9.474                 -0.867
 RC180  Fr= 1--       0.710                  0.711                  0.078
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.09   0.10     0.00  -0.06  -0.03    -0.01  -0.00  -0.00
     2  16    -0.00   0.00  -0.00    -0.01   0.01   0.02     0.00   0.00  -0.00
     3   6    -0.06   0.28  -0.05    -0.02   0.11   0.04    -0.03   0.00   0.06
     4   7    -0.03  -0.14  -0.03     0.01  -0.03  -0.05     0.01   0.02  -0.02
     5   6     0.06  -0.03   0.03    -0.05   0.01  -0.01     0.24  -0.08  -0.09
     6   8    -0.02  -0.05  -0.00     0.00   0.00   0.00    -0.03  -0.08   0.02
     7   8    -0.00   0.04  -0.01     0.03  -0.02  -0.00    -0.06   0.12   0.02
     8   1    -0.18   0.73  -0.09     0.03  -0.22   0.06    -0.49  -0.34   0.00
     9   1    -0.10  -0.06   0.09     0.58   0.01   0.02    -0.09  -0.00  -0.01
    10   1     0.05  -0.08   0.07    -0.39  -0.03   0.04    -0.05   0.00   0.01
    11   1    -0.08   0.06   0.05     0.07  -0.04  -0.04    -0.53   0.30   0.07
    12   1     0.08  -0.43  -0.17    -0.05   0.26   0.15    -0.12   0.28   0.08
    13   1     0.06   0.03  -0.08     0.07  -0.46  -0.01    -0.03  -0.23   0.02
    14   1    -0.01   0.01  -0.01     0.31   0.07  -0.12     0.02   0.00  -0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1236.3112              1279.3123              1329.0466
 Red. masses --      1.4469                 1.3165                 1.3276
 Frc consts  --      1.3030                 1.2695                 1.3816
 IR Inten    --      5.9660                 0.4208                 5.7586
 RamAct Fr= 1--      5.5947                 1.4529                 3.6396
  Dep-P Fr= 1--      0.4073                 0.7457                 0.5513
  Dep-U Fr= 1--      0.5788                 0.8543                 0.7107
 Alpha2 Fr= 1--      0.0404                 0.0001                 0.0138
 Beta2  Fr= 1--      0.5397                 0.2069                 0.4311
 AlphaG Fr= 1--      0.0565                -0.0021                -0.0370
 Gamma2 Fr= 1--     -0.0054                -2.1291                 0.5122
 Delta2 Fr= 1--     -1.3591                -0.2229                 0.0348
 Raman1 Fr= 1--      22.379                  5.812                 14.558
 ROA1   Fr= 1--     -44.007               -211.523                 50.289
 CID1   Fr= 1--      -1.966                -36.396                  3.454
 Raman2 Fr= 1--       6.477                  2.483                  5.174
 ROA2   Fr= 1--      10.745                -49.315                 12.016
 CID2   Fr= 1--       1.659                -19.865                  2.322
 Raman3 Fr= 1--      12.954                  4.965                 10.347
 ROA3   Fr= 1--     -44.007               -211.523                 50.289
 CID3   Fr= 1--      -3.397                -42.602                  4.860
 RC180  Fr= 1--       0.158                  0.709                  0.421
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01   0.00    -0.09  -0.00  -0.04     0.10  -0.02  -0.04
     2  16     0.00  -0.00   0.01     0.00  -0.01  -0.01     0.00   0.00  -0.00
     3   6    -0.11  -0.02  -0.09     0.03   0.08   0.08    -0.11   0.02   0.04
     4   7     0.02   0.00   0.03    -0.01  -0.02  -0.05     0.01   0.00  -0.02
     5   6     0.09  -0.02   0.05    -0.02  -0.00   0.00     0.00   0.01   0.03
     6   8    -0.01  -0.02  -0.01    -0.00  -0.01   0.00    -0.00  -0.01  -0.00
     7   8    -0.01   0.03  -0.01     0.01  -0.00   0.00     0.02   0.00  -0.01
     8   1     0.62  -0.01   0.02     0.18  -0.02   0.12     0.64  -0.11   0.16
     9   1     0.63  -0.08   0.05    -0.04   0.12  -0.04    -0.61   0.10  -0.10
    10   1     0.17   0.00  -0.06     0.85  -0.15   0.11    -0.23  -0.03   0.11
    11   1    -0.22   0.12   0.06     0.00  -0.00  -0.01    -0.14   0.07   0.03
    12   1    -0.03  -0.10  -0.11    -0.01   0.15   0.10    -0.04   0.11   0.03
    13   1    -0.09   0.21   0.02     0.08  -0.29  -0.03    -0.01  -0.15   0.01
    14   1    -0.00   0.00  -0.00    -0.16  -0.04   0.06     0.03   0.00  -0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1400.4381              1404.0352              1468.2333
 Red. masses --      1.2947                 1.6000                 1.0889
 Frc consts  --      1.4960                 1.8584                 1.3830
 IR Inten    --     95.4773               361.7859                 6.2233
 RamAct Fr= 1--      4.9903                 6.7118                 4.5218
  Dep-P Fr= 1--      0.6910                 0.0899                 0.6994
  Dep-U Fr= 1--      0.8173                 0.1650                 0.8231
 Alpha2 Fr= 1--      0.0052                 0.1204                 0.0040
 Beta2  Fr= 1--      0.6797                 0.1846                 0.6203
 AlphaG Fr= 1--     -0.0014                -0.1207                 0.0074
 Gamma2 Fr= 1--      1.7664                -0.1873                 0.2313
 Delta2 Fr= 1--     -1.2457                -0.0761                -0.7178
 Raman1 Fr= 1--      19.961                 26.847                 18.087
 ROA1   Fr= 1--     129.712                -20.417                 -0.766
 CID1   Fr= 1--       6.498                 -0.760                 -0.042
 Raman2 Fr= 1--       8.157                  2.215                  7.444
 ROA2   Fr= 1--      52.359                 -3.886                 11.294
 CID2   Fr= 1--       6.419                 -1.754                  1.517
 Raman3 Fr= 1--      16.314                  4.430                 14.887
 ROA3   Fr= 1--     129.712                -20.417                 -0.766
 CID3   Fr= 1--       7.951                 -4.609                 -0.051
 RC180  Fr= 1--       0.635                 -0.670                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03   0.01    -0.00   0.01  -0.00    -0.01   0.06  -0.05
     2  16     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     3   6     0.01  -0.11   0.03    -0.06  -0.06   0.03     0.02   0.02  -0.01
     4   7     0.01   0.01  -0.05     0.02   0.02  -0.04    -0.00  -0.00   0.01
     5   6    -0.05   0.02   0.01     0.14  -0.05  -0.01    -0.01   0.00  -0.00
     6   8     0.01  -0.02  -0.00    -0.01   0.05  -0.00     0.00  -0.00  -0.00
     7   8     0.05   0.00  -0.01    -0.11   0.01   0.01     0.00  -0.00  -0.00
     8   1    -0.01   0.76  -0.01     0.10   0.46   0.04    -0.02  -0.10  -0.01
     9   1     0.09  -0.13   0.02     0.02  -0.10   0.01    -0.02  -0.69  -0.01
    10   1    -0.08   0.02   0.04    -0.05  -0.00   0.07    -0.04  -0.17   0.69
    11   1    -0.44   0.22   0.05     0.70  -0.35  -0.10    -0.01   0.01   0.00
    12   1    -0.05   0.26   0.12    -0.02   0.16   0.06     0.01  -0.06  -0.03
    13   1     0.05  -0.20  -0.03     0.02  -0.24  -0.00    -0.02   0.04   0.00
    14   1     0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1660.9807              1837.5331              2668.7949
 Red. masses --      1.0918                 9.9012                 1.0385
 Frc consts  --      1.7748                19.6974                 4.3579
 IR Inten    --     28.2652               302.8040                 5.5651
 RamAct Fr= 1--      3.2536                14.3771               114.0360
  Dep-P Fr= 1--      0.7191                 0.4285                 0.1703
  Dep-U Fr= 1--      0.8366                 0.6000                 0.2910
 Alpha2 Fr= 1--      0.0017                 0.0959                 1.6738
 Beta2  Fr= 1--      0.4537                 1.4377                 5.5309
 AlphaG Fr= 1--      0.0016                 0.1659                -1.7981
 Gamma2 Fr= 1--     -0.0466                 0.5750                -5.5935
 Delta2 Fr= 1--     -0.0529                 1.0568                 0.2045
 Raman1 Fr= 1--      13.014                 57.509                456.144
 ROA1   Fr= 1--      -6.172                 89.023               -530.431
 CID1   Fr= 1--      -0.474                  1.548                 -1.163
 Raman2 Fr= 1--       5.444                 17.252                 66.371
 ROA2   Fr= 1--      -0.696                  5.346               -135.880
 CID2   Fr= 1--      -0.128                  0.310                 -2.047
 Raman3 Fr= 1--      10.888                 34.504                132.742
 ROA3   Fr= 1--      -6.172                 89.023               -530.431
 CID3   Fr= 1--      -0.567                  2.580                 -3.996
 RC180  Fr= 1--       0.673                  0.200                 -0.418
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00   0.00
     2  16     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.03  -0.02
     3   6    -0.03   0.01  -0.01    -0.01  -0.03   0.01     0.00  -0.00   0.00
     4   7    -0.03  -0.07  -0.02    -0.00  -0.01   0.00     0.00   0.00   0.00
     5   6     0.01  -0.00  -0.00     0.14   0.71  -0.03     0.00  -0.00  -0.00
     6   8    -0.00   0.00   0.00    -0.09  -0.44   0.02    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.04  -0.06   0.01    -0.00   0.00   0.00
     8   1     0.02  -0.04  -0.00    -0.01   0.02  -0.00    -0.00  -0.00   0.00
     9   1     0.00  -0.02  -0.00     0.03  -0.00  -0.01    -0.00   0.00  -0.01
    10   1    -0.01  -0.00   0.01     0.05   0.01   0.00    -0.00  -0.02  -0.00
    11   1     0.02  -0.01  -0.02     0.47  -0.18  -0.07    -0.00   0.00  -0.00
    12   1     0.18   0.34   0.58     0.01  -0.03   0.00    -0.00   0.00   0.00
    13   1     0.40   0.56  -0.17    -0.01   0.01   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00    -0.02   0.00   0.00     0.05   0.87   0.50
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3048.2506              3064.9254              3130.0591
 Red. masses --      1.0798                 1.0684                 1.0992
 Frc consts  --      5.9113                 5.9131                 6.3450
 IR Inten    --      3.8345                10.1433                 2.0962
 RamAct Fr= 1--    137.9197                36.9008                50.7444
  Dep-P Fr= 1--      0.1312                 0.0597                 0.4491
  Dep-U Fr= 1--      0.2320                 0.1127                 0.6198
 Alpha2 Fr= 1--      2.2352                 0.7122                 0.3123
 Beta2  Fr= 1--      5.3334                 0.6933                 5.2419
 AlphaG Fr= 1--     -1.2932                -0.1953                -0.2013
 Gamma2 Fr= 1--      4.3856                -1.9135                -4.0247
 Delta2 Fr= 1--      3.7242                -3.4943                -3.5719
 Raman1 Fr= 1--     551.679                147.603                202.978
 ROA1   Fr= 1--     540.188               -295.516               -500.676
 CID1   Fr= 1--       0.979                 -2.002                 -2.467
 Raman2 Fr= 1--      64.001                  8.320                 62.902
 ROA2   Fr= 1--      75.460                -17.970                -68.019
 CID2   Fr= 1--       1.179                 -2.160                 -1.081
 Raman3 Fr= 1--     128.001                 16.640                125.804
 ROA3   Fr= 1--     540.188               -295.516               -500.676
 CID3   Fr= 1--       4.220                -17.759                 -3.980
 RC180  Fr= 1--      -0.536                 -0.775                  0.240
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.03     0.01   0.03  -0.06    -0.01  -0.07  -0.05
     2  16    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.07     0.01  -0.00  -0.04     0.00  -0.00  -0.01
     4   7     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   1    -0.13   0.04   0.88    -0.06   0.02   0.43    -0.01   0.00   0.07
     9   1     0.04  -0.02  -0.43    -0.06   0.04   0.80    -0.03   0.00   0.38
    10   1     0.01   0.11   0.04    -0.04  -0.36  -0.12     0.11   0.87   0.25
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   1     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00  -0.00  -0.02    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    14   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3476.7495              3494.3801              3582.3460
 Red. masses --      1.0624                 1.0532                 1.0918
 Frc consts  --      7.5662                 7.5773                 8.2554
 IR Inten    --    208.7248                15.7905                 9.4150
 RamAct Fr= 1--    114.9393                53.6745                52.7985
  Dep-P Fr= 1--      0.0513                 0.1116                 0.4930
  Dep-U Fr= 1--      0.0975                 0.2007                 0.6604
 Alpha2 Fr= 1--      2.2635                 0.9134                 0.2693
 Beta2  Fr= 1--      1.8687                 1.7958                 5.8116
 AlphaG Fr= 1--      0.2758                -0.0001                -0.0233
 Gamma2 Fr= 1--      1.9827                -3.3859                 1.6374
 Delta2 Fr= 1--      2.1027                -1.7594                -0.3598
 Raman1 Fr= 1--     459.757                214.698                211.194
 ROA1   Fr= 1--     257.627               -381.345                145.672
 CID1   Fr= 1--       0.560                 -1.776                  0.690
 Raman2 Fr= 1--      22.425                 21.549                 69.739
 ROA2   Fr= 1--      30.763                -67.187                 42.175
 CID2   Fr= 1--       1.372                 -3.118                  0.605
 Raman3 Fr= 1--      44.849                 43.099                139.477
 ROA3   Fr= 1--     257.627               -381.345                145.672
 CID3   Fr= 1--       5.744                 -8.848                  1.044
 RC180  Fr= 1--      -0.805                 -0.599                  0.321
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     2  16    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   7    -0.01  -0.01  -0.01    -0.03  -0.03  -0.04    -0.03  -0.03   0.07
     5   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   8    -0.02  -0.05   0.00     0.01   0.02  -0.00     0.00   0.00  -0.00
     8   1    -0.00  -0.00   0.00    -0.00   0.00   0.01     0.00  -0.00  -0.01
     9   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    11   1     0.36   0.86  -0.04    -0.14  -0.32   0.01    -0.01  -0.03   0.00
    12   1     0.13   0.11  -0.12     0.28   0.24  -0.27     0.57   0.45  -0.47
    13   1     0.05   0.04   0.28     0.15   0.10   0.79    -0.12  -0.07  -0.47
    14   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 16 and mass  31.97207
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   121.01975 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   401.395371542.154011879.83941
           X            0.99998  -0.00339   0.00585
           Y            0.00338   0.99999   0.00169
           Z           -0.00585  -0.00167   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21578     0.05616     0.04608
 Rotational constants (GHZ):           4.49617     1.17027     0.96005
 Zero-point vibrational energy     283667.1 (Joules/Mol)
                                   67.79806 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    101.65   134.27   257.54   318.87   382.98
          (Kelvin)            471.04   510.91   593.67   749.36   857.62
                             1002.58  1063.24  1131.27  1206.71  1238.24
                             1277.31  1377.12  1515.34  1624.91  1644.99
                             1739.46  1778.78  1840.65  1912.20  2014.92
                             2020.09  2112.46  2389.78  2643.80  3839.80
                             4385.75  4409.74  4503.46  5002.27  5027.63
                             5154.20
 
 Zero-point correction=                           0.108043 (Hartree/Particle)
 Thermal correction to Energy=                    0.116088
 Thermal correction to Enthalpy=                  0.117032
 Thermal correction to Gibbs Free Energy=         0.074926
 Sum of electronic and zero-point Energies=           -722.017911
 Sum of electronic and thermal Energies=              -722.009867
 Sum of electronic and thermal Enthalpies=            -722.008922
 Sum of electronic and thermal Free Energies=         -722.051029
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.846             28.378             88.620
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.287
 Rotational               0.889              2.981             28.544
 Vibrational             71.069             22.417             19.789
 Vibration     1          0.598              1.968              4.135
 Vibration     2          0.602              1.954              3.589
 Vibration     3          0.629              1.868              2.339
 Vibration     4          0.648              1.808              1.946
 Vibration     5          0.672              1.735              1.621
 Vibration     6          0.711              1.621              1.273
 Vibration     7          0.731              1.565              1.143
 Vibration     8          0.776              1.443              0.917
 Vibration     9          0.876              1.204              0.608
 Vibration    10          0.954              1.040              0.456
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.343990D-34        -34.463454        -79.355035
 Total V=0       0.170952D+16         15.232873         35.074987
 Vib (Bot)       0.170236D-47        -47.768948       -109.992068
 Vib (Bot)    1  0.291886D+01          0.465214          1.071195
 Vib (Bot)    2  0.220192D+01          0.342801          0.789329
 Vib (Bot)    3  0.112248D+01          0.050177          0.115538
 Vib (Bot)    4  0.891890D+00         -0.049689         -0.114413
 Vib (Bot)    5  0.727456D+00         -0.138193         -0.318201
 Vib (Bot)    6  0.571632D+00         -0.242883         -0.559259
 Vib (Bot)    7  0.517836D+00         -0.285808         -0.658096
 Vib (Bot)    8  0.427932D+00         -0.368626         -0.848792
 Vib (Bot)    9  0.309677D+00         -0.509091         -1.172225
 Vib (Bot)   10  0.251514D+00         -0.599437         -1.380256
 Vib (V=0)       0.846017D+02          1.927379          4.437954
 Vib (V=0)    1  0.346138D+01          0.539249          1.241667
 Vib (V=0)    2  0.275797D+01          0.440590          1.014496
 Vib (V=0)    3  0.172880D+01          0.237745          0.547429
 Vib (V=0)    4  0.152248D+01          0.182552          0.420341
 Vib (V=0)    5  0.138272D+01          0.140734          0.324052
 Vib (V=0)    6  0.125945D+01          0.100181          0.230675
 Vib (V=0)    7  0.121983D+01          0.086299          0.198711
 Vib (V=0)    8  0.115812D+01          0.063755          0.146800
 Vib (V=0)    9  0.108813D+01          0.036682          0.084463
 Vib (V=0)   10  0.105970D+01          0.025181          0.057982
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523285D+08          7.718738         17.773052
 Rotational      0.386150D+06          5.586756         12.863981
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  33            333             2                            1      1     1 11 1 1 1111  1                                     
     5  44            100             6                            8      6     4 44 3 2 2211  0   9 888 77 6  5  5   4 33 2 21      
     8  97            364             6                            3      6     6 00 2 7 3042  5   5 863 83 9  9  2   1 52 6 27  97  
     2  47            058             9                            8      1     8 40 9 9 6939  3   7 819 69 7  6  1   3 57 6 29  31  
 
     X  XX            XXX             X                            X      X     X XX X X XXXX  X   X XXX XX X  X  X   X XX X XX  XX  
         X                                                         X      X       XX           X   X XXX                             
         X                                                         X              XX               X  XX                             
         X                                                         X              XX                  XX                             
         X                                                         X              XX                   X                             
         X                                                         X              X                    X                             
         X                                                         X              X                    X                             
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000022119   -0.000000087    0.000005362
      2       16           0.000006556   -0.000001410   -0.000005605
      3        6          -0.000001517    0.000008395    0.000001420
      4        7          -0.000007511   -0.000003858   -0.000002947
      5        6           0.000011171    0.000017334    0.000002439
      6        8          -0.000005836   -0.000007661   -0.000000824
      7        8          -0.000000911   -0.000000662    0.000000780
      8        1           0.000002483   -0.000003618   -0.000000152
      9        1           0.000003703   -0.000001408   -0.000001393
     10        1           0.000006300   -0.000003366   -0.000000969
     11        1           0.000003689   -0.000005958   -0.000001285
     12        1           0.000004240    0.000001062    0.000000317
     13        1           0.000002594    0.000002197    0.000001761
     14        1          -0.000002842   -0.000000960    0.000001097
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000022119 RMS     0.000005895
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.947350D+02  0.421020D+00 -0.588661D+00
      2   0.421020D+00  0.791355D+02 -0.862249D+00
      3  -0.588661D+00 -0.862249D+00  0.616879D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.292495D+01 -0.331143D+01 -0.297188D+01
      2   0.332682D+01 -0.158536D+01  0.342066D+02
      3   0.199906D-01 -0.141388D+02  0.433223D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.895267D+02 -0.692828D+01 -0.357603D+00
      2  -0.542295D+02  0.918656D+01  0.138346D+01
      3  -0.352972D+02 -0.225828D+01 -0.102586D+01
      4   0.652255D+01  0.129793D+02 -0.214161D+01
      5   0.472261D+01 -0.430730D+01  0.634658D+02
      6   0.135285D+01  0.552812D+01  0.121725D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.784454D+01 -0.222033D+01  0.129131D+01 -0.371204D+01  0.904955D+00
      2  -0.222033D+01  0.478384D+00  0.584420D+00  0.904955D+00  0.345224D+01
      3   0.129131D+01  0.584420D+00 -0.759254D+00 -0.935683D-01  0.123685D+01
                 6             7             8             9            10 
      1  -0.935683D-01  0.342939D+01 -0.492003D+00  0.183375D+01  0.163471D+02
      2   0.123685D+01 -0.492003D+00  0.145061D+01  0.906090D+00  0.121908D+00
      3  -0.378627D+00  0.183375D+01  0.906090D+00 -0.659231D+01 -0.197672D+01
                11            12            13            14            15 
      1   0.121908D+00 -0.197672D+01 -0.733906D+00  0.232899D+01 -0.153673D+00
      2   0.695996D+00 -0.685525D+00  0.232899D+01 -0.542824D+01 -0.334225D+01
      3  -0.685525D+00  0.242072D+01 -0.153673D+00 -0.334225D+01 -0.252625D+01
                16            17            18            19            20 
      1  -0.403892D+01  0.357069D-01  0.388008D+01  0.406739D+01  0.281241D+01
      2   0.357069D-01 -0.368512D+01 -0.170369D+01  0.281241D+01 -0.993205D+00
      3   0.388008D+01 -0.170369D+01 -0.163425D+01  0.612555D-01  0.515399D+00
                21            22            23            24            25 
      1   0.612555D-01  0.517361D+01  0.372095D+00 -0.217736D+00 -0.210572D+01
      2   0.515399D+00  0.372095D+00 -0.245664D+01 -0.851137D+00  0.138207D+01
      3  -0.847168D+00 -0.217736D+00 -0.851137D+00  0.961005D+00 -0.616708D+00
                26            27            28            29            30 
      1   0.138207D+01 -0.616708D+00 -0.172307D+01 -0.198124D+01  0.110178D+01
      2  -0.112401D+01  0.306941D+00 -0.198124D+01 -0.254795D+01  0.841451D-01
      3   0.306941D+00  0.604098D+01  0.110178D+01  0.841451D-01 -0.140344D+01
                31            32            33            34            35 
      1  -0.224559D+01 -0.275688D+01  0.424419D+00  0.192047D+01  0.877019D-01
      2  -0.275688D+01  0.343678D+01  0.669211D+00  0.877019D-01  0.807297D+00
      3   0.424419D+00  0.669211D+00 -0.125168D+01 -0.158755D+01 -0.124454D+01
                36            37            38            39            40 
      1  -0.158755D+01 -0.488532D+01 -0.275826D+01 -0.257491D+00 -0.260746D+01
      2  -0.124454D+01 -0.275826D+01  0.817894D+00  0.747577D-01  0.334129D+01
      3  -0.404279D+01 -0.257491D+00  0.747577D-01 -0.602518D+00 -0.785337D-01
                41            42            43            44            45 
      1   0.334129D+01 -0.785337D-01  0.402841D+00 -0.190154D+00 -0.243544D+00
      2   0.685544D+01 -0.325681D-01 -0.190154D+00  0.572105D+00  0.179612D+00
      3  -0.325681D-01  0.409032D+00 -0.243544D+00  0.179612D+00 -0.162672D+00
                46            47            48            49            50 
      1  -0.157764D+01 -0.316771D+01  0.632787D-01 -0.419659D+01 -0.345971D+01
      2  -0.316771D+01 -0.247156D+01 -0.191108D+00 -0.345971D+01 -0.132435D+02
      3   0.632787D-01 -0.191108D+00 -0.522661D-01  0.401468D-03  0.424551D-01
                51            52            53            54            55 
      1   0.401468D-03 -0.200899D+00  0.310984D-01 -0.115217D+01 -0.889458D+01
      2   0.424551D-01  0.310984D-01  0.886156D-01 -0.318174D+01  0.209630D+01
      3  -0.237289D+01 -0.115217D+01 -0.318174D+01  0.202292D+00  0.250538D+00
                56            57            58            59            60 
      1   0.209630D+01  0.250538D+00 -0.162565D+01 -0.441360D+01 -0.141887D+00
      2  -0.215227D+01 -0.283615D+00 -0.441360D+01 -0.185565D+01  0.158633D+00
      3  -0.283615D+00 -0.757249D+00 -0.141887D+00  0.158633D+00  0.405517D+00
                61            62            63            64            65 
      1   0.134519D+01  0.191736D-01 -0.201912D+01  0.373288D+00 -0.516729D+00
      2   0.191736D-01  0.695605D-01  0.113526D+01 -0.516729D+00  0.343461D+00
      3  -0.201912D+01  0.113526D+01  0.421893D+00 -0.901320D+00 -0.571749D-01
                66            67            68            69            70 
      1  -0.901320D+00 -0.119073D+01  0.896237D-01  0.110173D+00 -0.185529D+01
      2  -0.571749D-01  0.896237D-01  0.468312D+00 -0.988211D+00 -0.196671D+00
      3   0.970773D+00  0.110173D+00 -0.988211D+00 -0.341410D+00  0.116755D+00
                71            72            73            74            75 
      1  -0.196671D+00  0.116755D+00  0.968922D-01  0.638249D-01  0.931117D+00
      2  -0.134699D+01 -0.670942D-01  0.638249D-01 -0.433174D-01 -0.979892D-01
      3  -0.670942D-01 -0.754161D+01  0.931117D+00 -0.979892D-01 -0.514518D+00
                76            77            78            79            80 
      1   0.102657D+01 -0.275285D+00 -0.172607D+00  0.301360D+01  0.181562D+00
      2  -0.275285D+00 -0.631891D+00  0.870574D+00  0.181562D+00  0.118234D+01
      3  -0.172607D+00  0.870574D+00  0.356444D+00 -0.184138D+01 -0.133748D+01
                81            82            83            84            85 
      1  -0.184138D+01 -0.453706D+00 -0.517709D+00 -0.536534D+00 -0.205006D+01
      2  -0.133748D+01 -0.517709D+00  0.327898D-01 -0.419391D-01 -0.602044D+00
      3   0.787919D+01 -0.536534D+00 -0.419391D-01 -0.735198D-02 -0.118352D+00
                86            87            88            89            90 
      1  -0.602044D+00 -0.118352D+00 -0.187870D+01 -0.238319D+00 -0.258833D+00
      2  -0.787410D+01 -0.649137D+00 -0.238319D+00 -0.152363D+01 -0.118147D+01
      3  -0.649137D+00 -0.101782D+01 -0.258833D+00 -0.118147D+01 -0.147623D+00
                91            92            93            94            95 
      1   0.147549D+01  0.218161D+01 -0.107960D+00  0.541460D+01  0.730346D-01
      2   0.218161D+01  0.426516D+00  0.145259D+00  0.730346D-01  0.519386D+01
      3  -0.107960D+00  0.145259D+00 -0.457851D+00  0.208318D-01  0.500770D-01
                96            97            98            99           100 
      1   0.208318D-01 -0.357814D+00 -0.926328D-01 -0.762919D+00  0.282126D+01
      2   0.500770D-01 -0.926328D-01 -0.174826D+00  0.648940D+00  0.195963D+01
      3   0.905880D+00 -0.762919D+00  0.648940D+00 -0.438690D-01 -0.874958D+00
               101           102           103           104           105 
      1   0.195963D+01 -0.874958D+00  0.294677D+01  0.237298D+01 -0.760639D+00
      2   0.360222D+01 -0.921723D+00  0.237298D+01  0.404851D+01 -0.953752D+00
      3  -0.921723D+00  0.113991D+01 -0.760639D+00 -0.953752D+00  0.115480D+01
               106           107           108           109           110 
      1  -0.265071D+01 -0.111468D+01  0.937575D+00 -0.426057D+00  0.660141D+00
      2  -0.111468D+01 -0.240016D+01  0.154600D+01  0.660141D+00  0.355991D+00
      3   0.937575D+00  0.154600D+01 -0.156063D+01  0.359532D+00  0.649433D+00
               111           112           113           114           115 
      1   0.359532D+00  0.682587D+00  0.191035D+00  0.443799D+00  0.175375D+01
      2   0.649433D+00  0.191035D+00  0.149976D+01  0.850397D+00  0.203155D+00
      3   0.512871D+00  0.443799D+00  0.850397D+00  0.104922D+01  0.102467D+01
               116           117           118           119           120 
      1   0.203155D+00  0.102467D+01  0.623523D+00  0.126617D+01  0.596166D+00
      2   0.256268D+01  0.214851D+01  0.126617D+01  0.145504D+01  0.225659D+00
      3   0.214851D+01  0.610526D+01  0.596166D+00  0.225659D+00  0.357343D+00
               121           122           123           124           125 
      1   0.311790D+01  0.183351D+01  0.737372D+00  0.122281D+01  0.383989D+00
      2   0.183351D+01  0.653509D+01  0.293886D+01  0.383989D+00  0.352153D+01
      3   0.737372D+00  0.293886D+01  0.264678D+01  0.689403D+00  0.184467D+01
               126 
      1   0.689403D+00
      2   0.184467D+01
      3   0.107614D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.152599D+01 -0.187063D+01  0.112390D+01 -0.137294D+01  0.642823D+01
      2   0.331692D+01  0.231179D+01 -0.371471D+01 -0.200923D+00  0.146577D+01
      3   0.270676D+01  0.360797D+01 -0.332506D+01  0.130079D+02 -0.429972D+01
                 6             7             8             9            10 
      1  -0.234878D+01  0.309846D+01  0.330469D+01 -0.496727D+01 -0.309600D-01
      2  -0.191758D+01 -0.108031D+02 -0.293814D+00 -0.200433D+01 -0.942697D+01
      3  -0.249198D+01 -0.165261D+01 -0.122439D+01 -0.135365D+01 -0.777632D+01
                11            12            13            14            15 
      1   0.224740D+01  0.802277D+00  0.321435D+01 -0.144546D+01 -0.550847D+01
      2  -0.195298D+01  0.127838D+02  0.631608D+00 -0.102930D+02 -0.829611D+01
      3  -0.764232D+01  0.280386D+01  0.941331D+01  0.169530D+02  0.102146D+02
                16            17            18            19            20 
      1   0.370160D+01  0.967717D+01  0.492401D+00 -0.223287D+01  0.103339D+01
      2  -0.549174D+01 -0.485362D+01 -0.354338D+01  0.450332D+01 -0.165361D+01
      3  -0.317804D+01  0.116002D+02  0.249709D+01  0.610590D+01 -0.629151D+01
                21            22            23            24            25 
      1  -0.922459D+00  0.157055D+01  0.121681D+00 -0.181987D+00 -0.221327D+01
      2   0.302490D+01  0.145128D+01 -0.351805D+01  0.391687D+01 -0.271699D+01
      3   0.508813D+00 -0.450280D+01 -0.324718D+01  0.561389D+00  0.152561D+01
                26            27            28            29            30 
      1   0.435463D+01 -0.247994D+00 -0.351668D+01 -0.891681D+00  0.491329D+01
      2   0.319802D+00 -0.436638D+01 -0.231214D+01  0.245555D+01  0.555433D+01
      3   0.206056D+01 -0.495552D-01 -0.635913D+01 -0.128317D+02  0.174907D+01
                31            32            33            34            35 
      1  -0.258624D+01 -0.346526D+01 -0.214227D+01  0.489414D+01  0.726695D+01
      2   0.388090D+00  0.144515D+01 -0.161651D+01 -0.138873D+01 -0.469457D+00
      3  -0.444721D+00 -0.388851D-01  0.868268D+00  0.626328D+01  0.316552D-01
                36            37            38            39            40 
      1   0.867436D+01  0.148798D+01  0.791935D+00 -0.259063D-01  0.190334D+01
      2   0.377584D+01 -0.400683D+01  0.473581D+00 -0.631543D+01 -0.143651D+01
      3  -0.460634D+01 -0.842811D+01  0.184740D+01 -0.272552D+00  0.160694D+01
                41            42            43            44            45 
      1   0.128373D+00  0.973158D+01  0.261971D+00  0.977986D+01 -0.341198D+00
      2   0.222764D+01 -0.236335D+01 -0.189816D+02 -0.199908D+01  0.364004D+01
      3   0.135105D+02 -0.143611D+01  0.456786D+01 -0.194193D+01  0.119867D+01
                46            47            48            49            50 
      1  -0.361188D-01 -0.883151D-01 -0.268307D+01 -0.177958D+00  0.108080D+01
      2  -0.246443D+00 -0.113931D+00  0.548531D+01 -0.136702D+01 -0.135063D+01
      3  -0.168847D+01 -0.707618D+01  0.398187D-01  0.106864D+02 -0.231711D+02
                51            52            53            54            55 
      1  -0.114221D+02 -0.619853D+00  0.704197D+00  0.574791D+00 -0.107454D+01
      2   0.551453D+01  0.338612D+01  0.594262D+01 -0.108013D+01 -0.268821D+00
      3   0.677191D+00 -0.249231D+01  0.394476D+00 -0.574025D+01 -0.365089D+01
                56            57            58            59            60 
      1  -0.282966D+00  0.280476D+01  0.163408D+00 -0.274551D+00 -0.372213D+01
      2  -0.349814D+00  0.992507D+01  0.112289D+01  0.231102D-01 -0.169356D+01
      3  -0.180478D+02  0.252327D+00 -0.154085D+02 -0.119514D+02 -0.347682D+00
                61            62            63            64            65 
      1   0.361771D+00  0.208590D+01 -0.331133D+00  0.471657D+00 -0.961551D+00
      2   0.646096D+01 -0.112973D+01 -0.226993D+01  0.216663D+01 -0.307870D+00
      3  -0.972586D+00  0.212417D+01  0.222035D+01  0.533666D+00 -0.290594D+00
                66            67            68            69            70 
      1   0.157316D+00 -0.489738D+00 -0.556890D+00 -0.422015D+00  0.300700D+00
      2   0.455419D+00 -0.200460D+00  0.606646D+00 -0.131175D+00 -0.303301D+01
      3  -0.675621D-01  0.216839D+01 -0.214845D-01  0.395855D-01 -0.518355D+00
                71            72            73            74            75 
      1   0.255547D+01  0.130015D+01  0.693662D+00 -0.879076D+00 -0.916729D+00
      2   0.163327D-01  0.246196D+01  0.199521D+01 -0.627264D+00  0.257049D+01
      3  -0.517706D+00  0.781028D+00  0.382152D+00 -0.218425D+01 -0.176115D+00
                76            77            78            79            80 
      1  -0.622875D+00  0.293901D+00 -0.152973D+00 -0.249596D+01  0.187295D+01
      2  -0.605716D+00  0.606041D+00  0.224890D+00 -0.457465D+01 -0.676385D+00
      3   0.216881D+00  0.728480D+00 -0.117144D+00 -0.290652D+01 -0.351215D+00
                81            82            83            84            85 
      1   0.709458D+01 -0.748861D+00 -0.252355D-01 -0.507919D+00 -0.309914D-01
      2   0.451751D+01 -0.378263D+00  0.109301D+00  0.116372D+01 -0.218144D+00
      3   0.255725D+01  0.324539D+01 -0.229333D-01  0.902644D+00  0.657533D+01
                86            87            88            89            90 
      1  -0.367816D+01 -0.319426D+01 -0.264414D+00 -0.107633D+01 -0.261103D+00
      2  -0.233759D+00 -0.696528D+00 -0.128091D+01 -0.902427D+00 -0.386937D+00
      3   0.930844D+01  0.971642D+00  0.292372D+01  0.225872D+01  0.139725D+01
                91            92            93            94            95 
      1   0.685763D+00  0.898558D-01  0.963174D+00 -0.932570D-01  0.443614D+00
      2   0.472218D-01 -0.599376D+00 -0.118855D+01 -0.960014D-01 -0.514492D+00
      3   0.923960D+01  0.969260D+01  0.151502D+00  0.140513D+02  0.200966D+02
                96            97            98            99           100 
      1  -0.121389D+01  0.111389D+01  0.107289D+01  0.348699D+00  0.242192D+01
      2  -0.245536D+01 -0.158547D+01 -0.210744D+01  0.225752D-01  0.266466D+01
      3   0.777342D+00 -0.421950D+00 -0.103464D+01  0.283755D+00  0.109688D+02
               101           102           103           104           105 
      1   0.185434D+01 -0.362352D+01  0.173457D+01  0.204062D+01 -0.267689D+01
      2  -0.573185D+00  0.664652D-02  0.264825D+00  0.618662D+00  0.707222D+00
      3   0.323728D+01 -0.214351D+01  0.913975D+01  0.527801D+01 -0.213638D+01
               106           107           108           109           110 
      1  -0.305926D+01 -0.137254D+01  0.248248D+01 -0.563231D+00 -0.477985D+00
      2  -0.271095D+01  0.749085D+00 -0.851238D+00 -0.128730D+01  0.852174D-01
      3  -0.807277D+01 -0.275941D+01  0.212713D+01  0.462387D+00  0.125581D+01
               111           112           113           114           115 
      1  -0.199329D+01 -0.660959D+00 -0.185078D+01 -0.282609D+01 -0.336139D+01
      2  -0.568205D+00 -0.283046D+00 -0.673632D+00  0.637679D-01 -0.380266D+01
      3   0.427572D+00  0.247252D+01  0.566519D+00  0.146682D+01  0.401408D+01
               116           117           118           119           120 
      1  -0.248519D+01 -0.131209D+02  0.916282D+00 -0.539475D+00 -0.918339D-01
      2  -0.659510D+00 -0.305323D+01  0.293857D+01  0.311248D+00  0.166174D+01
      3   0.170296D+01  0.410130D+01 -0.595191D+01 -0.482354D+01 -0.419250D+00
               121           122           123           124           125 
      1  -0.225703D+01  0.116521D+01 -0.476425D+01 -0.150823D+01  0.182914D+01
      2   0.549136D+00  0.959052D+01  0.874290D+01 -0.846084D+00  0.585500D+01
      3  -0.161389D+01 -0.235030D+02 -0.933844D+01  0.920594D+00 -0.123435D+02
               126 
      1  -0.212944D+01
      2   0.342851D+01
      3  -0.541402D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.444032D+02 -0.490935D+01  0.396582D+01 -0.157105D+02  0.132372D+02
      2   0.245406D+02  0.302663D+01 -0.365763D+01  0.967795D+01 -0.148035D+02
      3   0.198626D+02  0.188272D+01 -0.308191D+00  0.603257D+01  0.156632D+01
      4   0.129245D+01 -0.587055D+01  0.302507D+01  0.914814D+01  0.126600D+01
      5   0.707226D+01  0.427255D+01 -0.129640D+02 -0.104415D+01  0.226279D+01
      6  -0.408281D+01  0.172656D+01 -0.891788D+00  0.161935D+01 -0.412041D+01
                 6             7             8             9            10 
      1   0.835487D+00  0.111841D+02  0.179618D+00  0.161462D+02  0.990344D+02
      2  -0.280475D+01 -0.998035D+01 -0.307104D+01 -0.104890D+01 -0.554662D+02
      3   0.196926D+01 -0.120371D+01  0.289142D+01 -0.150973D+02 -0.435681D+02
      4   0.135641D+01 -0.319147D+01  0.163675D+01  0.161509D+01 -0.501940D+01
      5  -0.370155D+01  0.740674D+01  0.996243D+00 -0.484685D+01 -0.117344D+02
      6   0.138968D+01 -0.799388D+00  0.169146D+01  0.339222D+01 -0.197671D+00
                11            12            13            14            15 
      1   0.104318D+01 -0.122342D+02  0.464776D+01  0.103745D+01  0.322496D+00
      2  -0.308975D+01  0.568254D+01 -0.754433D+01  0.940843D+01 -0.426633D+01
      3   0.204657D+01  0.655170D+01  0.289656D+01 -0.104459D+02  0.394384D+01
      4   0.155744D+02 -0.525295D+01  0.245240D+02 -0.337356D+02 -0.162160D+02
      5  -0.596826D+01  0.291492D+02 -0.333773D+01 -0.177601D+02 -0.127538D+02
      6   0.316916D+00 -0.123367D+01 -0.245398D+01 -0.668263D+01  0.147192D+02
                16            17            18            19            20 
      1  -0.184498D+02  0.365196D+01  0.405384D+01  0.295358D+00 -0.399826D+01
      2   0.776177D+01 -0.969489D+00 -0.204508D+02  0.483315D+01  0.263878D+01
      3   0.106881D+02 -0.268247D+01  0.163969D+02 -0.512851D+01  0.135948D+01
      4   0.401128D+00 -0.178454D+02 -0.107747D+02 -0.709068D+01  0.883822D+01
      5   0.358526D+02 -0.106498D+02 -0.604079D+01  0.401435D+01 -0.321269D+00
      6  -0.408799D+01  0.112975D+02 -0.343468D+01  0.131479D+01 -0.168681D+01
                21            22            23            24            25 
      1  -0.213729D+00  0.102854D+02  0.733785D+00  0.223224D+01 -0.103399D+02
      2  -0.182944D+01 -0.436792D+01 -0.610118D+01 -0.105258D+01  0.517313D+01
      3   0.204317D+01 -0.591751D+01  0.536739D+01 -0.117966D+01  0.516674D+01
      4  -0.684530D+00 -0.817443D+01  0.115242D+02 -0.196253D+01 -0.293477D+01
      5   0.225757D+01  0.178077D+00 -0.108585D+01  0.470527D+01 -0.169793D+01
      6  -0.128253D+00 -0.305576D+01 -0.907245D+00 -0.251432D+01 -0.157335D+00
                26            27            28            29            30 
      1   0.118468D+01  0.535076D+01  0.176742D+02  0.961383D+01  0.727974D+00
      2  -0.403545D+01  0.921514D+01 -0.154347D+02 -0.126615D+02  0.252082D+01
      3   0.285077D+01 -0.145659D+02 -0.223952D+01  0.304766D+01 -0.324879D+01
      4  -0.348615D+00  0.450439D+00 -0.392921D+01 -0.562884D+01  0.338274D+01
      5  -0.273057D+00 -0.251623D+01  0.715098D+00  0.178416D+01  0.529245D+01
      6   0.145475D+01  0.156190D+01  0.576531D+01  0.278676D+01 -0.874400D+01
                31            32            33            34            35 
      1   0.301319D+01 -0.125294D+02 -0.152403D+01 -0.856072D+00 -0.362752D+00
      2  -0.940716D+01  0.223351D+02  0.410684D+01  0.259927D+01  0.511873D+01
      3   0.639397D+01 -0.980565D+01 -0.258282D+01 -0.174320D+01 -0.475598D+01
      4   0.216875D+01 -0.154818D+02  0.152078D+01  0.410790D+01  0.121497D+01
      5   0.866883D+00  0.668964D+00 -0.321762D+01  0.435194D+01 -0.269164D+01
      6   0.315023D+01  0.503011D+01  0.937243D+00 -0.867013D+01 -0.340313D+01
                36            37            38            39            40 
      1   0.630672D+01 -0.996852D+01  0.156171D+02 -0.751199D+00 -0.159563D+01
      2  -0.298002D+01  0.301126D+01 -0.143555D+02 -0.148659D+01 -0.482414D+01
      3  -0.332670D+01  0.695726D+01 -0.126161D+01  0.223779D+01  0.641978D+01
      4  -0.706147D+01  0.992805D+01 -0.147991D+02  0.159306D+00 -0.263200D+02
      5   0.199769D+01 -0.151293D+01 -0.279303D+00 -0.883135D+01 -0.310305D+01
      6  -0.137193D+02 -0.686781D+00 -0.305739D+00  0.173531D+01 -0.824788D+00
                41            42            43            44            45 
      1   0.503956D+01 -0.422548D-01  0.484002D+01 -0.428211D+01 -0.445007D+01
      2  -0.173253D+02  0.269572D+00 -0.353081D+01  0.300831D+01 -0.662491D+01
      3   0.122858D+02 -0.227318D+00 -0.130921D+01  0.127379D+01  0.110750D+02
      4  -0.308118D+02  0.900584D+00  0.779451D-02  0.332071D+01 -0.260729D+01
      5   0.324619D+00 -0.291923D+01  0.377451D+01 -0.215844D+01  0.423857D+01
      6  -0.169779D+01 -0.136970D+02 -0.338431D+00  0.380511D+01  0.110405D+01
                46            47            48            49            50 
      1   0.118548D+02  0.613000D+01 -0.245112D+00  0.113094D+02 -0.231679D+02
      2  -0.176114D+01  0.289094D+01  0.494762D+00  0.313594D+01  0.445813D+02
      3  -0.100936D+02 -0.902094D+01 -0.249650D+00 -0.144453D+02 -0.214134D+02
      4   0.196795D+02  0.244466D+02 -0.713834D-01  0.295992D+02  0.578780D+02
      5   0.677750D+00  0.177701D+00  0.853021D+01  0.187607D+01  0.609538D+00
      6   0.480536D+00  0.606282D+00  0.372702D+01  0.124977D+01  0.158072D+01
                51            52            53            54            55 
      1  -0.673346D+00 -0.999981D+00  0.350794D+00 -0.356162D+01  0.586508D+02
      2   0.920769D-01  0.114289D+01 -0.873469D+00  0.315584D+01 -0.348148D+02
      3   0.581269D+00 -0.142911D+00  0.522676D+00  0.405774D+00 -0.238360D+02
      4   0.191600D+00 -0.284745D+00 -0.116677D+01  0.134362D+02 -0.232121D+02
      5   0.110107D+02  0.980593D+01  0.138616D+02 -0.867022D+00 -0.313816D+00
      6   0.175913D+02  0.437491D+01  0.141887D+02 -0.456483D+00  0.553619D+00
                56            57            58            59            60 
      1  -0.111974D+02  0.389818D+00  0.645446D+01  0.151191D+02 -0.659881D+00
      2   0.440641D+01  0.366599D+00 -0.732871D+01 -0.729296D+01  0.148584D+00
      3   0.679099D+01 -0.756418D+00  0.874254D+00 -0.782614D+01  0.511297D+00
      4   0.212929D+02  0.289458D+00  0.223339D+02 -0.138769D+01 -0.893632D+00
      5  -0.250859D+00  0.182571D+02 -0.276425D+00 -0.101436D+01 -0.426892D+01
      6  -0.218099D+00 -0.456201D+01 -0.810941D+00  0.967817D+00  0.720375D+01
                61            62            63            64            65 
      1  -0.204270D+01  0.146245D+01  0.701481D+01  0.490959D+00  0.360228D+00
      2   0.171770D+01 -0.308095D+00 -0.875795D+01 -0.339940D+01 -0.218018D+00
      3   0.325003D+00 -0.115436D+01  0.174314D+01  0.290845D+01 -0.142210D+00
      4   0.102086D+01 -0.192413D+01 -0.550058D+01  0.184492D+00  0.292508D+00
      5   0.165274D+02 -0.606400D+01 -0.378875D+01 -0.522898D+00 -0.237641D-02
      6  -0.196556D+01  0.486244D+01  0.565248D+00 -0.469251D+00  0.479617D+00
                66            67            68            69            70 
      1   0.115846D+01  0.433110D+00 -0.470919D+01 -0.347632D+00  0.200707D+01
      2   0.970385D+00  0.481048D+00  0.987236D+00 -0.951331D+00  0.107009D+01
      3  -0.212885D+01 -0.914158D+00  0.372195D+01  0.129896D+01 -0.307716D+01
      4  -0.255318D+00  0.204863D+01 -0.802851D+00  0.249724D+00  0.129918D+01
      5   0.449567D+01  0.441175D+00  0.273353D-01 -0.278422D+00  0.360767D+01
      6   0.448521D+00  0.314263D+00  0.572319D+00  0.651441D+01  0.184050D+00
                71            72            73            74            75 
      1   0.114700D+01 -0.177969D+02  0.302707D+01 -0.978338D-01  0.375490D+01
      2  -0.103098D+01 -0.127090D+02 -0.453047D+01  0.800295D-01  0.635918D+00
      3  -0.116018D+00  0.305060D+02  0.150340D+01  0.178043D-01 -0.439082D+01
      4   0.941715D+00 -0.728052D+00  0.258201D+00  0.298372D+01 -0.203921D+01
      5   0.717457D-01  0.143503D+01 -0.146450D+01 -0.152268D+01  0.778043D+01
      6   0.354176D+01 -0.256305D+01 -0.710824D+00 -0.122280D+01  0.101173D+01
                76            77            78            79            80 
      1   0.259137D+01 -0.534373D+01  0.831489D+00  0.118790D+02  0.484660D+01
      2  -0.110976D+01  0.275439D+01 -0.841495D+00 -0.198886D+01 -0.493037D+00
      3  -0.148161D+01  0.258934D+01  0.100058D-01 -0.989018D+01 -0.435357D+01
      4   0.744878D+00 -0.486171D+00  0.553758D+00 -0.875210D+00  0.255329D+00
      5  -0.125512D+01  0.335229D+00  0.293422D+00  0.131438D+01 -0.118015D+01
      6  -0.145340D+01 -0.192163D+01  0.554077D+01  0.167099D+01  0.560078D+01
                81            82            83            84            85 
      1  -0.264906D+02  0.251525D+01 -0.992244D+00 -0.862851D+00 -0.595712D+01
      2  -0.695797D+01  0.982316D+00  0.836542D+00  0.115997D+01  0.470686D+01
      3   0.334485D+02 -0.349757D+01  0.155702D+00 -0.297122D+00  0.125026D+01
      4  -0.724869D+00  0.412640D+00  0.498419D+01  0.121937D+00  0.279510D+01
      5   0.593571D+01 -0.700367D+00 -0.350086D+00  0.163957D+01 -0.913057D+00
      6  -0.103663D+02  0.794847D+00  0.649136D-01  0.116949D+00 -0.191786D+00
                86            87            88            89            90 
      1  -0.196274D+02 -0.144431D+01 -0.404366D+01 -0.397579D+01 -0.534756D+01
      2   0.287512D+02  0.307503D+01  0.291862D+01  0.459059D+01  0.280053D+01
      3  -0.912375D+01 -0.163072D+01  0.112504D+01 -0.614792D+00  0.254703D+01
      4  -0.108433D+02 -0.884867D+00 -0.522889D+00 -0.259449D+01 -0.148472D+01
      5  -0.129795D+01 -0.145869D+01  0.673593D+00 -0.158973D+01 -0.551891D+00
      6   0.567069D+00  0.441409D+01  0.580450D+00  0.592234D+01  0.144924D+01
                91            92            93            94            95 
      1  -0.138344D+02 -0.484112D+01 -0.147465D+00 -0.191031D+02 -0.686802D+01
      2   0.115535D+02  0.112132D+01  0.267389D+00  0.101441D+02  0.108957D+02
      3   0.228094D+01  0.371981D+01 -0.119925D+00  0.895894D+01 -0.402767D+01
      4  -0.447231D+01  0.388545D+00 -0.439283D+00  0.824638D+01 -0.219718D+02
      5   0.388378D+00  0.280056D+00 -0.162076D+01  0.815062D+00  0.432472D+00
      6  -0.275894D+00 -0.868549D-01 -0.182508D+01  0.296109D+00 -0.164960D+00
                96            97            98            99           100 
      1   0.202422D+00  0.110151D+01  0.341064D+00 -0.485856D+00 -0.269294D+01
      2  -0.200038D+00 -0.671532D+00 -0.382858D+00 -0.116940D+00  0.686821D+01
      3  -0.238355D-02 -0.429982D+00  0.417938D-01  0.602797D+00 -0.417528D+01
      4  -0.112240D+00 -0.217583D+00  0.554769D+00 -0.336788D+01  0.733810D+01
      5  -0.454366D+01  0.384495D+01 -0.309772D+01  0.210435D+00 -0.161128D+01
      6   0.180312D+01 -0.188921D+01  0.285843D+01 -0.386947D+00 -0.548232D+01
               101           102           103           104           105 
      1  -0.101792D+02  0.201366D+01 -0.619167D+01 -0.112300D+02  0.274946D+01
      2   0.149120D+02 -0.408655D+01  0.100444D+02  0.179008D+02 -0.487604D+01
      3  -0.473278D+01  0.207289D+01 -0.385276D+01 -0.667078D+01  0.212658D+01
      4   0.103467D+02 -0.374024D+01  0.994047D+01  0.833601D+01 -0.320775D+01
      5  -0.227005D+01  0.173439D+01 -0.372161D+00 -0.182320D+01  0.147041D+01
      6  -0.599387D+01  0.628756D+01 -0.470937D+01 -0.644516D+01  0.566112D+01
               106           107           108           109           110 
      1   0.281974D+01  0.730308D+01 -0.599392D+01 -0.202758D+01 -0.214770D+01
      2  -0.418312D+01 -0.828861D+01  0.418248D+01  0.164305D+01  0.231808D+01
      3   0.136337D+01  0.985523D+00  0.181144D+01  0.384532D+00 -0.170377D+00
      4  -0.531385D+01 -0.438678D+01  0.465786D+01 -0.162597D+00  0.292588D+01
      5   0.180896D+01  0.248965D+01 -0.239068D+01  0.747578D+00  0.946805D+00
      6   0.570173D+01  0.882207D+01 -0.683858D+01  0.107530D+01  0.289282D+01
               111           112           113           114           115 
      1  -0.206504D+01 -0.339073D+00 -0.498771D+01 -0.298519D+01 -0.536109D+00
      2   0.133149D+01  0.431876D+00  0.541558D+01  0.325320D+01 -0.448689D+00
      3   0.733548D+00 -0.928032D-01 -0.427871D+00 -0.268010D+00  0.984798D+00
      4   0.160666D+01  0.360186D+01  0.169210D+01  0.150108D+01  0.366933D+01
      5   0.160457D+01  0.255577D+00  0.511898D+00  0.107900D+01  0.223773D+01
      6   0.355743D+01  0.245356D+01  0.413627D+01  0.733433D+01  0.453019D+01
               116           117           118           119           120 
      1  -0.860958D+01 -0.130692D+02  0.569722D+01  0.616013D+01  0.372411D+01
      2   0.610768D+01 -0.388953D+00 -0.118198D+01 -0.218665D+01 -0.197723D+01
      3   0.250190D+01  0.134582D+02 -0.451524D+01 -0.397348D+01 -0.174689D+01
      4   0.174053D+01  0.265904D+01  0.521389D+01  0.133604D+02  0.303549D+01
      5   0.253811D+00  0.163901D+00  0.365609D+01  0.264136D+01  0.436277D+01
      6   0.107242D+02  0.232567D+02  0.192115D+01  0.640316D+00  0.500280D+00
               121           122           123           124           125 
      1   0.988167D+01  0.539320D+00  0.107788D+01  0.382921D+01 -0.266218D+01
      2  -0.347885D+01  0.800730D+01  0.289759D+01 -0.118768D+01  0.120254D+01
      3  -0.640283D+01 -0.854662D+01 -0.397546D+01 -0.264154D+01  0.145964D+01
      4   0.140781D+02  0.352458D+02  0.164144D+02  0.283432D+01  0.186014D+02
      5   0.586884D+01  0.178086D+02  0.145831D+02  0.522652D+01  0.104524D+02
      6   0.382809D+01  0.822326D+01  0.479017D+01  0.128673D+01  0.776905D+01
               126 
      1  -0.280184D+01
      2  -0.443754D+00
      3   0.324559D+01
      4   0.943098D+01
      5   0.643221D+01
      6   0.557371D+01
 Leave Link  716 at Thu Aug 12 19:42:07 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.947350D+02  0.421020D+00 -0.588661D+00
      2   0.421020D+00  0.791355D+02 -0.862249D+00
      3  -0.588661D+00 -0.862249D+00  0.616879D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.292495D+01 -0.331143D+01 -0.297188D+01
      2   0.332682D+01 -0.158536D+01  0.342066D+02
      3   0.199906D-01 -0.141388D+02  0.433223D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.895267D+02 -0.692828D+01 -0.357603D+00
      2  -0.542295D+02  0.918656D+01  0.138346D+01
      3  -0.352972D+02 -0.225828D+01 -0.102586D+01
      4   0.652255D+01  0.129793D+02 -0.214161D+01
      5   0.472261D+01 -0.430730D+01  0.634658D+02
      6   0.135285D+01  0.552812D+01  0.121725D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.784454D+01 -0.222033D+01  0.129131D+01 -0.371204D+01  0.904955D+00
      2  -0.222033D+01  0.478384D+00  0.584420D+00  0.904955D+00  0.345224D+01
      3   0.129131D+01  0.584420D+00 -0.759254D+00 -0.935683D-01  0.123685D+01
                 6             7             8             9            10 
      1  -0.935683D-01  0.342939D+01 -0.492003D+00  0.183375D+01  0.163471D+02
      2   0.123685D+01 -0.492003D+00  0.145061D+01  0.906090D+00  0.121908D+00
      3  -0.378627D+00  0.183375D+01  0.906090D+00 -0.659231D+01 -0.197672D+01
                11            12            13            14            15 
      1   0.121908D+00 -0.197672D+01 -0.733906D+00  0.232899D+01 -0.153673D+00
      2   0.695996D+00 -0.685525D+00  0.232899D+01 -0.542824D+01 -0.334225D+01
      3  -0.685525D+00  0.242072D+01 -0.153673D+00 -0.334225D+01 -0.252625D+01
                16            17            18            19            20 
      1  -0.403892D+01  0.357069D-01  0.388008D+01  0.406739D+01  0.281241D+01
      2   0.357069D-01 -0.368512D+01 -0.170369D+01  0.281241D+01 -0.993205D+00
      3   0.388008D+01 -0.170369D+01 -0.163425D+01  0.612555D-01  0.515399D+00
                21            22            23            24            25 
      1   0.612555D-01  0.517361D+01  0.372095D+00 -0.217736D+00 -0.210572D+01
      2   0.515399D+00  0.372095D+00 -0.245664D+01 -0.851137D+00  0.138207D+01
      3  -0.847168D+00 -0.217736D+00 -0.851137D+00  0.961005D+00 -0.616708D+00
                26            27            28            29            30 
      1   0.138207D+01 -0.616708D+00 -0.172307D+01 -0.198124D+01  0.110178D+01
      2  -0.112401D+01  0.306941D+00 -0.198124D+01 -0.254795D+01  0.841451D-01
      3   0.306941D+00  0.604098D+01  0.110178D+01  0.841451D-01 -0.140344D+01
                31            32            33            34            35 
      1  -0.224559D+01 -0.275688D+01  0.424419D+00  0.192047D+01  0.877019D-01
      2  -0.275688D+01  0.343678D+01  0.669211D+00  0.877019D-01  0.807297D+00
      3   0.424419D+00  0.669211D+00 -0.125168D+01 -0.158755D+01 -0.124454D+01
                36            37            38            39            40 
      1  -0.158755D+01 -0.488532D+01 -0.275826D+01 -0.257491D+00 -0.260746D+01
      2  -0.124454D+01 -0.275826D+01  0.817894D+00  0.747577D-01  0.334129D+01
      3  -0.404279D+01 -0.257491D+00  0.747577D-01 -0.602518D+00 -0.785337D-01
                41            42            43            44            45 
      1   0.334129D+01 -0.785337D-01  0.402841D+00 -0.190154D+00 -0.243544D+00
      2   0.685544D+01 -0.325681D-01 -0.190154D+00  0.572105D+00  0.179612D+00
      3  -0.325681D-01  0.409032D+00 -0.243544D+00  0.179612D+00 -0.162672D+00
                46            47            48            49            50 
      1  -0.157764D+01 -0.316771D+01  0.632787D-01 -0.419659D+01 -0.345971D+01
      2  -0.316771D+01 -0.247156D+01 -0.191108D+00 -0.345971D+01 -0.132435D+02
      3   0.632787D-01 -0.191108D+00 -0.522661D-01  0.401468D-03  0.424551D-01
                51            52            53            54            55 
      1   0.401468D-03 -0.200899D+00  0.310984D-01 -0.115217D+01 -0.889458D+01
      2   0.424551D-01  0.310984D-01  0.886156D-01 -0.318174D+01  0.209630D+01
      3  -0.237289D+01 -0.115217D+01 -0.318174D+01  0.202292D+00  0.250538D+00
                56            57            58            59            60 
      1   0.209630D+01  0.250538D+00 -0.162565D+01 -0.441360D+01 -0.141887D+00
      2  -0.215227D+01 -0.283615D+00 -0.441360D+01 -0.185565D+01  0.158633D+00
      3  -0.283615D+00 -0.757249D+00 -0.141887D+00  0.158633D+00  0.405517D+00
                61            62            63            64            65 
      1   0.134519D+01  0.191736D-01 -0.201912D+01  0.373288D+00 -0.516729D+00
      2   0.191736D-01  0.695605D-01  0.113526D+01 -0.516729D+00  0.343461D+00
      3  -0.201912D+01  0.113526D+01  0.421893D+00 -0.901320D+00 -0.571749D-01
                66            67            68            69            70 
      1  -0.901320D+00 -0.119073D+01  0.896237D-01  0.110173D+00 -0.185529D+01
      2  -0.571749D-01  0.896237D-01  0.468312D+00 -0.988211D+00 -0.196671D+00
      3   0.970773D+00  0.110173D+00 -0.988211D+00 -0.341410D+00  0.116755D+00
                71            72            73            74            75 
      1  -0.196671D+00  0.116755D+00  0.968922D-01  0.638249D-01  0.931117D+00
      2  -0.134699D+01 -0.670942D-01  0.638249D-01 -0.433174D-01 -0.979892D-01
      3  -0.670942D-01 -0.754161D+01  0.931117D+00 -0.979892D-01 -0.514518D+00
                76            77            78            79            80 
      1   0.102657D+01 -0.275285D+00 -0.172607D+00  0.301360D+01  0.181562D+00
      2  -0.275285D+00 -0.631891D+00  0.870574D+00  0.181562D+00  0.118234D+01
      3  -0.172607D+00  0.870574D+00  0.356444D+00 -0.184138D+01 -0.133748D+01
                81            82            83            84            85 
      1  -0.184138D+01 -0.453706D+00 -0.517709D+00 -0.536534D+00 -0.205006D+01
      2  -0.133748D+01 -0.517709D+00  0.327898D-01 -0.419391D-01 -0.602044D+00
      3   0.787919D+01 -0.536534D+00 -0.419391D-01 -0.735198D-02 -0.118352D+00
                86            87            88            89            90 
      1  -0.602044D+00 -0.118352D+00 -0.187870D+01 -0.238319D+00 -0.258833D+00
      2  -0.787410D+01 -0.649137D+00 -0.238319D+00 -0.152363D+01 -0.118147D+01
      3  -0.649137D+00 -0.101782D+01 -0.258833D+00 -0.118147D+01 -0.147623D+00
                91            92            93            94            95 
      1   0.147549D+01  0.218161D+01 -0.107960D+00  0.541460D+01  0.730346D-01
      2   0.218161D+01  0.426516D+00  0.145259D+00  0.730346D-01  0.519386D+01
      3  -0.107960D+00  0.145259D+00 -0.457851D+00  0.208318D-01  0.500770D-01
                96            97            98            99           100 
      1   0.208318D-01 -0.357814D+00 -0.926328D-01 -0.762919D+00  0.282126D+01
      2   0.500770D-01 -0.926328D-01 -0.174826D+00  0.648940D+00  0.195963D+01
      3   0.905880D+00 -0.762919D+00  0.648940D+00 -0.438690D-01 -0.874958D+00
               101           102           103           104           105 
      1   0.195963D+01 -0.874958D+00  0.294677D+01  0.237298D+01 -0.760639D+00
      2   0.360222D+01 -0.921723D+00  0.237298D+01  0.404851D+01 -0.953752D+00
      3  -0.921723D+00  0.113991D+01 -0.760639D+00 -0.953752D+00  0.115480D+01
               106           107           108           109           110 
      1  -0.265071D+01 -0.111468D+01  0.937575D+00 -0.426057D+00  0.660141D+00
      2  -0.111468D+01 -0.240016D+01  0.154600D+01  0.660141D+00  0.355991D+00
      3   0.937575D+00  0.154600D+01 -0.156063D+01  0.359532D+00  0.649433D+00
               111           112           113           114           115 
      1   0.359532D+00  0.682587D+00  0.191035D+00  0.443799D+00  0.175375D+01
      2   0.649433D+00  0.191035D+00  0.149976D+01  0.850397D+00  0.203155D+00
      3   0.512871D+00  0.443799D+00  0.850397D+00  0.104922D+01  0.102467D+01
               116           117           118           119           120 
      1   0.203155D+00  0.102467D+01  0.623523D+00  0.126617D+01  0.596166D+00
      2   0.256268D+01  0.214851D+01  0.126617D+01  0.145504D+01  0.225659D+00
      3   0.214851D+01  0.610526D+01  0.596166D+00  0.225659D+00  0.357343D+00
               121           122           123           124           125 
      1   0.311790D+01  0.183351D+01  0.737372D+00  0.122281D+01  0.383989D+00
      2   0.183351D+01  0.653509D+01  0.293886D+01  0.383989D+00  0.352153D+01
      3   0.737372D+00  0.293886D+01  0.264678D+01  0.689403D+00  0.184467D+01
               126 
      1   0.689403D+00
      2   0.184467D+01
      3   0.107614D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.152599D+01 -0.187063D+01  0.112390D+01 -0.137294D+01  0.642823D+01
      2   0.331692D+01  0.231179D+01 -0.371471D+01 -0.200923D+00  0.146577D+01
      3   0.270676D+01  0.360797D+01 -0.332506D+01  0.130079D+02 -0.429972D+01
                 6             7             8             9            10 
      1  -0.234878D+01  0.309846D+01  0.330469D+01 -0.496727D+01 -0.309600D-01
      2  -0.191758D+01 -0.108031D+02 -0.293814D+00 -0.200433D+01 -0.942697D+01
      3  -0.249198D+01 -0.165261D+01 -0.122439D+01 -0.135365D+01 -0.777632D+01
                11            12            13            14            15 
      1   0.224740D+01  0.802277D+00  0.321435D+01 -0.144546D+01 -0.550847D+01
      2  -0.195298D+01  0.127838D+02  0.631608D+00 -0.102930D+02 -0.829611D+01
      3  -0.764232D+01  0.280386D+01  0.941331D+01  0.169530D+02  0.102146D+02
                16            17            18            19            20 
      1   0.370160D+01  0.967717D+01  0.492401D+00 -0.223287D+01  0.103339D+01
      2  -0.549174D+01 -0.485362D+01 -0.354338D+01  0.450332D+01 -0.165361D+01
      3  -0.317804D+01  0.116002D+02  0.249709D+01  0.610590D+01 -0.629151D+01
                21            22            23            24            25 
      1  -0.922459D+00  0.157055D+01  0.121681D+00 -0.181987D+00 -0.221327D+01
      2   0.302490D+01  0.145128D+01 -0.351805D+01  0.391687D+01 -0.271699D+01
      3   0.508813D+00 -0.450280D+01 -0.324718D+01  0.561389D+00  0.152561D+01
                26            27            28            29            30 
      1   0.435463D+01 -0.247994D+00 -0.351668D+01 -0.891681D+00  0.491329D+01
      2   0.319802D+00 -0.436638D+01 -0.231214D+01  0.245555D+01  0.555433D+01
      3   0.206056D+01 -0.495552D-01 -0.635913D+01 -0.128317D+02  0.174907D+01
                31            32            33            34            35 
      1  -0.258624D+01 -0.346526D+01 -0.214227D+01  0.489414D+01  0.726695D+01
      2   0.388090D+00  0.144515D+01 -0.161651D+01 -0.138873D+01 -0.469457D+00
      3  -0.444721D+00 -0.388851D-01  0.868268D+00  0.626328D+01  0.316552D-01
                36            37            38            39            40 
      1   0.867436D+01  0.148798D+01  0.791935D+00 -0.259063D-01  0.190334D+01
      2   0.377584D+01 -0.400683D+01  0.473581D+00 -0.631543D+01 -0.143651D+01
      3  -0.460634D+01 -0.842811D+01  0.184740D+01 -0.272552D+00  0.160694D+01
                41            42            43            44            45 
      1   0.128373D+00  0.973158D+01  0.261971D+00  0.977986D+01 -0.341198D+00
      2   0.222764D+01 -0.236335D+01 -0.189816D+02 -0.199908D+01  0.364004D+01
      3   0.135105D+02 -0.143611D+01  0.456786D+01 -0.194193D+01  0.119867D+01
                46            47            48            49            50 
      1  -0.361188D-01 -0.883151D-01 -0.268307D+01 -0.177958D+00  0.108080D+01
      2  -0.246443D+00 -0.113931D+00  0.548531D+01 -0.136702D+01 -0.135063D+01
      3  -0.168847D+01 -0.707618D+01  0.398187D-01  0.106864D+02 -0.231711D+02
                51            52            53            54            55 
      1  -0.114221D+02 -0.619853D+00  0.704197D+00  0.574791D+00 -0.107454D+01
      2   0.551453D+01  0.338612D+01  0.594262D+01 -0.108013D+01 -0.268821D+00
      3   0.677191D+00 -0.249231D+01  0.394476D+00 -0.574025D+01 -0.365089D+01
                56            57            58            59            60 
      1  -0.282966D+00  0.280476D+01  0.163408D+00 -0.274551D+00 -0.372213D+01
      2  -0.349814D+00  0.992507D+01  0.112289D+01  0.231102D-01 -0.169356D+01
      3  -0.180478D+02  0.252327D+00 -0.154085D+02 -0.119514D+02 -0.347682D+00
                61            62            63            64            65 
      1   0.361771D+00  0.208590D+01 -0.331133D+00  0.471657D+00 -0.961551D+00
      2   0.646096D+01 -0.112973D+01 -0.226993D+01  0.216663D+01 -0.307870D+00
      3  -0.972586D+00  0.212417D+01  0.222035D+01  0.533666D+00 -0.290594D+00
                66            67            68            69            70 
      1   0.157316D+00 -0.489738D+00 -0.556890D+00 -0.422015D+00  0.300700D+00
      2   0.455419D+00 -0.200460D+00  0.606646D+00 -0.131175D+00 -0.303301D+01
      3  -0.675621D-01  0.216839D+01 -0.214845D-01  0.395855D-01 -0.518355D+00
                71            72            73            74            75 
      1   0.255547D+01  0.130015D+01  0.693662D+00 -0.879076D+00 -0.916729D+00
      2   0.163327D-01  0.246196D+01  0.199521D+01 -0.627264D+00  0.257049D+01
      3  -0.517706D+00  0.781028D+00  0.382152D+00 -0.218425D+01 -0.176115D+00
                76            77            78            79            80 
      1  -0.622875D+00  0.293901D+00 -0.152973D+00 -0.249596D+01  0.187295D+01
      2  -0.605716D+00  0.606041D+00  0.224890D+00 -0.457465D+01 -0.676385D+00
      3   0.216881D+00  0.728480D+00 -0.117144D+00 -0.290652D+01 -0.351215D+00
                81            82            83            84            85 
      1   0.709458D+01 -0.748861D+00 -0.252355D-01 -0.507919D+00 -0.309914D-01
      2   0.451751D+01 -0.378263D+00  0.109301D+00  0.116372D+01 -0.218144D+00
      3   0.255725D+01  0.324539D+01 -0.229333D-01  0.902644D+00  0.657533D+01
                86            87            88            89            90 
      1  -0.367816D+01 -0.319426D+01 -0.264414D+00 -0.107633D+01 -0.261103D+00
      2  -0.233759D+00 -0.696528D+00 -0.128091D+01 -0.902427D+00 -0.386937D+00
      3   0.930844D+01  0.971642D+00  0.292372D+01  0.225872D+01  0.139725D+01
                91            92            93            94            95 
      1   0.685763D+00  0.898558D-01  0.963174D+00 -0.932570D-01  0.443614D+00
      2   0.472218D-01 -0.599376D+00 -0.118855D+01 -0.960014D-01 -0.514492D+00
      3   0.923960D+01  0.969260D+01  0.151502D+00  0.140513D+02  0.200966D+02
                96            97            98            99           100 
      1  -0.121389D+01  0.111389D+01  0.107289D+01  0.348699D+00  0.242192D+01
      2  -0.245536D+01 -0.158547D+01 -0.210744D+01  0.225752D-01  0.266466D+01
      3   0.777342D+00 -0.421950D+00 -0.103464D+01  0.283755D+00  0.109688D+02
               101           102           103           104           105 
      1   0.185434D+01 -0.362352D+01  0.173457D+01  0.204062D+01 -0.267689D+01
      2  -0.573185D+00  0.664652D-02  0.264825D+00  0.618662D+00  0.707222D+00
      3   0.323728D+01 -0.214351D+01  0.913975D+01  0.527801D+01 -0.213638D+01
               106           107           108           109           110 
      1  -0.305926D+01 -0.137254D+01  0.248248D+01 -0.563231D+00 -0.477985D+00
      2  -0.271095D+01  0.749085D+00 -0.851238D+00 -0.128730D+01  0.852174D-01
      3  -0.807277D+01 -0.275941D+01  0.212713D+01  0.462387D+00  0.125581D+01
               111           112           113           114           115 
      1  -0.199329D+01 -0.660959D+00 -0.185078D+01 -0.282609D+01 -0.336139D+01
      2  -0.568205D+00 -0.283046D+00 -0.673632D+00  0.637679D-01 -0.380266D+01
      3   0.427572D+00  0.247252D+01  0.566519D+00  0.146682D+01  0.401408D+01
               116           117           118           119           120 
      1  -0.248519D+01 -0.131209D+02  0.916282D+00 -0.539475D+00 -0.918339D-01
      2  -0.659510D+00 -0.305323D+01  0.293857D+01  0.311248D+00  0.166174D+01
      3   0.170296D+01  0.410130D+01 -0.595191D+01 -0.482354D+01 -0.419250D+00
               121           122           123           124           125 
      1  -0.225703D+01  0.116521D+01 -0.476425D+01 -0.150823D+01  0.182914D+01
      2   0.549136D+00  0.959052D+01  0.874290D+01 -0.846084D+00  0.585500D+01
      3  -0.161389D+01 -0.235030D+02 -0.933844D+01  0.920594D+00 -0.123435D+02
               126 
      1  -0.212944D+01
      2   0.342851D+01
      3  -0.541402D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.444032D+02 -0.490935D+01  0.396582D+01 -0.157105D+02  0.132372D+02
      2   0.245406D+02  0.302663D+01 -0.365763D+01  0.967795D+01 -0.148035D+02
      3   0.198626D+02  0.188272D+01 -0.308191D+00  0.603257D+01  0.156632D+01
      4   0.129245D+01 -0.587055D+01  0.302507D+01  0.914814D+01  0.126600D+01
      5   0.707226D+01  0.427255D+01 -0.129640D+02 -0.104415D+01  0.226279D+01
      6  -0.408281D+01  0.172656D+01 -0.891788D+00  0.161935D+01 -0.412041D+01
                 6             7             8             9            10 
      1   0.835487D+00  0.111841D+02  0.179618D+00  0.161462D+02  0.990344D+02
      2  -0.280475D+01 -0.998035D+01 -0.307104D+01 -0.104890D+01 -0.554662D+02
      3   0.196926D+01 -0.120371D+01  0.289142D+01 -0.150973D+02 -0.435681D+02
      4   0.135641D+01 -0.319147D+01  0.163675D+01  0.161509D+01 -0.501940D+01
      5  -0.370155D+01  0.740674D+01  0.996243D+00 -0.484685D+01 -0.117344D+02
      6   0.138968D+01 -0.799388D+00  0.169146D+01  0.339222D+01 -0.197671D+00
                11            12            13            14            15 
      1   0.104318D+01 -0.122342D+02  0.464776D+01  0.103745D+01  0.322496D+00
      2  -0.308975D+01  0.568254D+01 -0.754433D+01  0.940843D+01 -0.426633D+01
      3   0.204657D+01  0.655170D+01  0.289656D+01 -0.104459D+02  0.394384D+01
      4   0.155744D+02 -0.525295D+01  0.245240D+02 -0.337356D+02 -0.162160D+02
      5  -0.596826D+01  0.291492D+02 -0.333773D+01 -0.177601D+02 -0.127538D+02
      6   0.316916D+00 -0.123367D+01 -0.245398D+01 -0.668263D+01  0.147192D+02
                16            17            18            19            20 
      1  -0.184498D+02  0.365196D+01  0.405384D+01  0.295358D+00 -0.399826D+01
      2   0.776177D+01 -0.969489D+00 -0.204508D+02  0.483315D+01  0.263878D+01
      3   0.106881D+02 -0.268247D+01  0.163969D+02 -0.512851D+01  0.135948D+01
      4   0.401128D+00 -0.178454D+02 -0.107747D+02 -0.709068D+01  0.883822D+01
      5   0.358526D+02 -0.106498D+02 -0.604079D+01  0.401435D+01 -0.321269D+00
      6  -0.408799D+01  0.112975D+02 -0.343468D+01  0.131479D+01 -0.168681D+01
                21            22            23            24            25 
      1  -0.213729D+00  0.102854D+02  0.733785D+00  0.223224D+01 -0.103399D+02
      2  -0.182944D+01 -0.436792D+01 -0.610118D+01 -0.105258D+01  0.517313D+01
      3   0.204317D+01 -0.591751D+01  0.536739D+01 -0.117966D+01  0.516674D+01
      4  -0.684530D+00 -0.817443D+01  0.115242D+02 -0.196253D+01 -0.293477D+01
      5   0.225757D+01  0.178077D+00 -0.108585D+01  0.470527D+01 -0.169793D+01
      6  -0.128253D+00 -0.305576D+01 -0.907245D+00 -0.251432D+01 -0.157335D+00
                26            27            28            29            30 
      1   0.118468D+01  0.535076D+01  0.176742D+02  0.961383D+01  0.727974D+00
      2  -0.403545D+01  0.921514D+01 -0.154347D+02 -0.126615D+02  0.252082D+01
      3   0.285077D+01 -0.145659D+02 -0.223952D+01  0.304766D+01 -0.324879D+01
      4  -0.348615D+00  0.450439D+00 -0.392921D+01 -0.562884D+01  0.338274D+01
      5  -0.273057D+00 -0.251623D+01  0.715098D+00  0.178416D+01  0.529245D+01
      6   0.145475D+01  0.156190D+01  0.576531D+01  0.278676D+01 -0.874400D+01
                31            32            33            34            35 
      1   0.301319D+01 -0.125294D+02 -0.152403D+01 -0.856072D+00 -0.362752D+00
      2  -0.940716D+01  0.223351D+02  0.410684D+01  0.259927D+01  0.511873D+01
      3   0.639397D+01 -0.980565D+01 -0.258282D+01 -0.174320D+01 -0.475598D+01
      4   0.216875D+01 -0.154818D+02  0.152078D+01  0.410790D+01  0.121497D+01
      5   0.866883D+00  0.668964D+00 -0.321762D+01  0.435194D+01 -0.269164D+01
      6   0.315023D+01  0.503011D+01  0.937243D+00 -0.867013D+01 -0.340313D+01
                36            37            38            39            40 
      1   0.630672D+01 -0.996852D+01  0.156171D+02 -0.751199D+00 -0.159563D+01
      2  -0.298002D+01  0.301126D+01 -0.143555D+02 -0.148659D+01 -0.482414D+01
      3  -0.332670D+01  0.695726D+01 -0.126161D+01  0.223779D+01  0.641978D+01
      4  -0.706147D+01  0.992805D+01 -0.147991D+02  0.159306D+00 -0.263200D+02
      5   0.199769D+01 -0.151293D+01 -0.279303D+00 -0.883135D+01 -0.310305D+01
      6  -0.137193D+02 -0.686781D+00 -0.305739D+00  0.173531D+01 -0.824788D+00
                41            42            43            44            45 
      1   0.503956D+01 -0.422548D-01  0.484002D+01 -0.428211D+01 -0.445007D+01
      2  -0.173253D+02  0.269572D+00 -0.353081D+01  0.300831D+01 -0.662491D+01
      3   0.122858D+02 -0.227318D+00 -0.130921D+01  0.127379D+01  0.110750D+02
      4  -0.308118D+02  0.900584D+00  0.779451D-02  0.332071D+01 -0.260729D+01
      5   0.324619D+00 -0.291923D+01  0.377451D+01 -0.215844D+01  0.423857D+01
      6  -0.169779D+01 -0.136970D+02 -0.338431D+00  0.380511D+01  0.110405D+01
                46            47            48            49            50 
      1   0.118548D+02  0.613000D+01 -0.245112D+00  0.113094D+02 -0.231679D+02
      2  -0.176114D+01  0.289094D+01  0.494762D+00  0.313594D+01  0.445813D+02
      3  -0.100936D+02 -0.902094D+01 -0.249650D+00 -0.144453D+02 -0.214134D+02
      4   0.196795D+02  0.244466D+02 -0.713834D-01  0.295992D+02  0.578780D+02
      5   0.677750D+00  0.177701D+00  0.853021D+01  0.187607D+01  0.609538D+00
      6   0.480536D+00  0.606282D+00  0.372702D+01  0.124977D+01  0.158072D+01
                51            52            53            54            55 
      1  -0.673346D+00 -0.999981D+00  0.350794D+00 -0.356162D+01  0.586508D+02
      2   0.920769D-01  0.114289D+01 -0.873469D+00  0.315584D+01 -0.348148D+02
      3   0.581269D+00 -0.142911D+00  0.522676D+00  0.405774D+00 -0.238360D+02
      4   0.191600D+00 -0.284745D+00 -0.116677D+01  0.134362D+02 -0.232121D+02
      5   0.110107D+02  0.980593D+01  0.138616D+02 -0.867022D+00 -0.313816D+00
      6   0.175913D+02  0.437491D+01  0.141887D+02 -0.456483D+00  0.553619D+00
                56            57            58            59            60 
      1  -0.111974D+02  0.389818D+00  0.645446D+01  0.151191D+02 -0.659881D+00
      2   0.440641D+01  0.366599D+00 -0.732871D+01 -0.729296D+01  0.148584D+00
      3   0.679099D+01 -0.756418D+00  0.874254D+00 -0.782614D+01  0.511297D+00
      4   0.212929D+02  0.289458D+00  0.223339D+02 -0.138769D+01 -0.893632D+00
      5  -0.250859D+00  0.182571D+02 -0.276425D+00 -0.101436D+01 -0.426892D+01
      6  -0.218099D+00 -0.456201D+01 -0.810941D+00  0.967817D+00  0.720375D+01
                61            62            63            64            65 
      1  -0.204270D+01  0.146245D+01  0.701481D+01  0.490959D+00  0.360228D+00
      2   0.171770D+01 -0.308095D+00 -0.875795D+01 -0.339940D+01 -0.218018D+00
      3   0.325003D+00 -0.115436D+01  0.174314D+01  0.290845D+01 -0.142210D+00
      4   0.102086D+01 -0.192413D+01 -0.550058D+01  0.184492D+00  0.292508D+00
      5   0.165274D+02 -0.606400D+01 -0.378875D+01 -0.522898D+00 -0.237641D-02
      6  -0.196556D+01  0.486244D+01  0.565248D+00 -0.469251D+00  0.479617D+00
                66            67            68            69            70 
      1   0.115846D+01  0.433110D+00 -0.470919D+01 -0.347632D+00  0.200707D+01
      2   0.970385D+00  0.481048D+00  0.987236D+00 -0.951331D+00  0.107009D+01
      3  -0.212885D+01 -0.914158D+00  0.372195D+01  0.129896D+01 -0.307716D+01
      4  -0.255318D+00  0.204863D+01 -0.802851D+00  0.249724D+00  0.129918D+01
      5   0.449567D+01  0.441175D+00  0.273353D-01 -0.278422D+00  0.360767D+01
      6   0.448521D+00  0.314263D+00  0.572319D+00  0.651441D+01  0.184050D+00
                71            72            73            74            75 
      1   0.114700D+01 -0.177969D+02  0.302707D+01 -0.978338D-01  0.375490D+01
      2  -0.103098D+01 -0.127090D+02 -0.453047D+01  0.800295D-01  0.635918D+00
      3  -0.116018D+00  0.305060D+02  0.150340D+01  0.178043D-01 -0.439082D+01
      4   0.941715D+00 -0.728052D+00  0.258201D+00  0.298372D+01 -0.203921D+01
      5   0.717457D-01  0.143503D+01 -0.146450D+01 -0.152268D+01  0.778043D+01
      6   0.354176D+01 -0.256305D+01 -0.710824D+00 -0.122280D+01  0.101173D+01
                76            77            78            79            80 
      1   0.259137D+01 -0.534373D+01  0.831489D+00  0.118790D+02  0.484660D+01
      2  -0.110976D+01  0.275439D+01 -0.841495D+00 -0.198886D+01 -0.493037D+00
      3  -0.148161D+01  0.258934D+01  0.100058D-01 -0.989018D+01 -0.435357D+01
      4   0.744878D+00 -0.486171D+00  0.553758D+00 -0.875210D+00  0.255329D+00
      5  -0.125512D+01  0.335229D+00  0.293422D+00  0.131438D+01 -0.118015D+01
      6  -0.145340D+01 -0.192163D+01  0.554077D+01  0.167099D+01  0.560078D+01
                81            82            83            84            85 
      1  -0.264906D+02  0.251525D+01 -0.992244D+00 -0.862851D+00 -0.595712D+01
      2  -0.695797D+01  0.982316D+00  0.836542D+00  0.115997D+01  0.470686D+01
      3   0.334485D+02 -0.349757D+01  0.155702D+00 -0.297122D+00  0.125026D+01
      4  -0.724869D+00  0.412640D+00  0.498419D+01  0.121937D+00  0.279510D+01
      5   0.593571D+01 -0.700367D+00 -0.350086D+00  0.163957D+01 -0.913057D+00
      6  -0.103663D+02  0.794847D+00  0.649136D-01  0.116949D+00 -0.191786D+00
                86            87            88            89            90 
      1  -0.196274D+02 -0.144431D+01 -0.404366D+01 -0.397579D+01 -0.534756D+01
      2   0.287512D+02  0.307503D+01  0.291862D+01  0.459059D+01  0.280053D+01
      3  -0.912375D+01 -0.163072D+01  0.112504D+01 -0.614792D+00  0.254703D+01
      4  -0.108433D+02 -0.884867D+00 -0.522889D+00 -0.259449D+01 -0.148472D+01
      5  -0.129795D+01 -0.145869D+01  0.673593D+00 -0.158973D+01 -0.551891D+00
      6   0.567069D+00  0.441409D+01  0.580450D+00  0.592234D+01  0.144924D+01
                91            92            93            94            95 
      1  -0.138344D+02 -0.484112D+01 -0.147465D+00 -0.191031D+02 -0.686802D+01
      2   0.115535D+02  0.112132D+01  0.267389D+00  0.101441D+02  0.108957D+02
      3   0.228094D+01  0.371981D+01 -0.119925D+00  0.895894D+01 -0.402767D+01
      4  -0.447231D+01  0.388545D+00 -0.439283D+00  0.824638D+01 -0.219718D+02
      5   0.388378D+00  0.280056D+00 -0.162076D+01  0.815062D+00  0.432472D+00
      6  -0.275894D+00 -0.868549D-01 -0.182508D+01  0.296109D+00 -0.164960D+00
                96            97            98            99           100 
      1   0.202422D+00  0.110151D+01  0.341064D+00 -0.485856D+00 -0.269294D+01
      2  -0.200038D+00 -0.671532D+00 -0.382858D+00 -0.116940D+00  0.686821D+01
      3  -0.238355D-02 -0.429982D+00  0.417938D-01  0.602797D+00 -0.417528D+01
      4  -0.112240D+00 -0.217583D+00  0.554769D+00 -0.336788D+01  0.733810D+01
      5  -0.454366D+01  0.384495D+01 -0.309772D+01  0.210435D+00 -0.161128D+01
      6   0.180312D+01 -0.188921D+01  0.285843D+01 -0.386947D+00 -0.548232D+01
               101           102           103           104           105 
      1  -0.101792D+02  0.201366D+01 -0.619167D+01 -0.112300D+02  0.274946D+01
      2   0.149120D+02 -0.408655D+01  0.100444D+02  0.179008D+02 -0.487604D+01
      3  -0.473278D+01  0.207289D+01 -0.385276D+01 -0.667078D+01  0.212658D+01
      4   0.103467D+02 -0.374024D+01  0.994047D+01  0.833601D+01 -0.320775D+01
      5  -0.227005D+01  0.173439D+01 -0.372161D+00 -0.182320D+01  0.147041D+01
      6  -0.599387D+01  0.628756D+01 -0.470937D+01 -0.644516D+01  0.566112D+01
               106           107           108           109           110 
      1   0.281974D+01  0.730308D+01 -0.599392D+01 -0.202758D+01 -0.214770D+01
      2  -0.418312D+01 -0.828861D+01  0.418248D+01  0.164305D+01  0.231808D+01
      3   0.136337D+01  0.985523D+00  0.181144D+01  0.384532D+00 -0.170377D+00
      4  -0.531385D+01 -0.438678D+01  0.465786D+01 -0.162597D+00  0.292588D+01
      5   0.180896D+01  0.248965D+01 -0.239068D+01  0.747578D+00  0.946805D+00
      6   0.570173D+01  0.882207D+01 -0.683858D+01  0.107530D+01  0.289282D+01
               111           112           113           114           115 
      1  -0.206504D+01 -0.339073D+00 -0.498771D+01 -0.298519D+01 -0.536109D+00
      2   0.133149D+01  0.431876D+00  0.541558D+01  0.325320D+01 -0.448689D+00
      3   0.733548D+00 -0.928032D-01 -0.427871D+00 -0.268010D+00  0.984798D+00
      4   0.160666D+01  0.360186D+01  0.169210D+01  0.150108D+01  0.366933D+01
      5   0.160457D+01  0.255577D+00  0.511898D+00  0.107900D+01  0.223773D+01
      6   0.355743D+01  0.245356D+01  0.413627D+01  0.733433D+01  0.453019D+01
               116           117           118           119           120 
      1  -0.860958D+01 -0.130692D+02  0.569722D+01  0.616013D+01  0.372411D+01
      2   0.610768D+01 -0.388953D+00 -0.118198D+01 -0.218665D+01 -0.197723D+01
      3   0.250190D+01  0.134582D+02 -0.451524D+01 -0.397348D+01 -0.174689D+01
      4   0.174053D+01  0.265904D+01  0.521389D+01  0.133604D+02  0.303549D+01
      5   0.253811D+00  0.163901D+00  0.365609D+01  0.264136D+01  0.436277D+01
      6   0.107242D+02  0.232567D+02  0.192115D+01  0.640316D+00  0.500280D+00
               121           122           123           124           125 
      1   0.988167D+01  0.539320D+00  0.107788D+01  0.382921D+01 -0.266218D+01
      2  -0.347885D+01  0.800730D+01  0.289759D+01 -0.118768D+01  0.120254D+01
      3  -0.640283D+01 -0.854662D+01 -0.397546D+01 -0.264154D+01  0.145964D+01
      4   0.140781D+02  0.352458D+02  0.164144D+02  0.283432D+01  0.186014D+02
      5   0.586884D+01  0.178086D+02  0.145831D+02  0.522652D+01  0.104524D+02
      6   0.382809D+01  0.822326D+01  0.479017D+01  0.128673D+01  0.776905D+01
               126 
      1  -0.280184D+01
      2  -0.443754D+00
      3   0.324559D+01
      4   0.943098D+01
      5   0.643221D+01
      6   0.557371D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.181461D+01      0.461228D+01      0.153849D+02
   x          0.100808D+01      0.256227D+01      0.854682D+01
   y          0.149224D+01      0.379290D+01      0.126518D+02
   z          0.223182D+00      0.567271D+00      0.189221D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.687261D+02      0.101842D+02      0.113314D+02
   aniso      0.274821D+02      0.407242D+01      0.453118D+01
   xx         0.836423D+02      0.123945D+02      0.137907D+02
   yx         0.123654D+01      0.183236D+00      0.203877D+00
   yy         0.702428D+02      0.104089D+02      0.115815D+02
   zx        -0.154046D+01     -0.228272D+00     -0.253987D+00
   zy         0.660537D+00      0.978815D-01      0.108908D+00
   zz         0.522932D+02      0.774905D+01      0.862198D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.785195D+02      0.116354D+02      0.129461D+02
   aniso      0.287009D+02      0.425303D+01      0.473214D+01
   xx         0.947350D+02      0.140383D+02      0.156197D+02
   yx         0.421020D+00      0.623887D-01      0.694168D-01
   yy         0.791355D+02      0.117267D+02      0.130477D+02
   zx        -0.588661D+00     -0.872306D-01     -0.970571D-01
   zy        -0.862249D+00     -0.127772D+00     -0.142166D+00
   zz         0.616879D+02      0.914120D+01      0.101710D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.25991871         -1.68119661         -0.01166511
    16          3.75386061         -1.93169466          2.34979842
     6         -0.16100742          0.82800686          0.04815165
     7         -1.63703988          1.32242587          2.33468755
     6         -1.87126218          1.07419985         -2.29932857
     8         -1.29194578          0.27619647         -4.34160282
     8         -4.02638801          2.32096490         -1.86530834
     1          1.21823998          2.35625068         -0.12727899
     1         -0.04610662         -3.26450866          0.18416272
     1          2.19409793         -1.88860472         -1.83176589
     1         -4.02541986          2.70193517         -0.04800774
     1         -0.55245697          2.04924791          3.72984930
     1         -2.46405836         -0.27464992          2.99801011
     1          2.25397271         -2.13290585          4.38779632

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.181461D+01      0.461228D+01      0.153849D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.181461D+01      0.461228D+01      0.153849D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.687261D+02      0.101842D+02      0.113314D+02
   aniso      0.274821D+02      0.407242D+01      0.453118D+01
   xx         0.725601D+02      0.107523D+02      0.119635D+02
   yx        -0.109462D+02     -0.162206D+01     -0.180479D+01
   yy         0.584587D+02      0.866268D+01      0.963854D+01
   zx         0.708573D+01      0.105000D+01      0.116828D+01
   zy        -0.986700D+00     -0.146214D+00     -0.162685D+00
   zz         0.751595D+02      0.111375D+02      0.123921D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.785195D+02      0.116354D+02      0.129461D+02
   aniso      0.287009D+02      0.425303D+01      0.473214D+01
   xx         0.817907D+02      0.121201D+02      0.134855D+02
   yx        -0.122616D+02     -0.181698D+01     -0.202166D+01
   yy         0.699520D+02      0.103658D+02      0.115335D+02
   zx         0.819873D+01      0.121493D+01      0.135179D+01
   zy        -0.969227D+00     -0.143625D+00     -0.159804D+00
   zz         0.838157D+02      0.124202D+02      0.138193D+02

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 REVOLUTIONS HAVE NEVER LIGHTENED THE BURDEN OF TYRANNY:
 THEY HAVE MERELY SHIFTED IT TO OTHER SHOULDERS.
                                   -- G. B. SHAW (1903)
 Job cpu time:       0 days  0 hours 54 minutes 20.8 seconds.
 Elapsed time:       0 days  0 hours  6 minutes 49.4 seconds.
 File lengths (MBytes):  RWF=    218 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 19:42:07 2021.
